data_1x4a_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 1x4a _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 ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.553 HD12 ' CE2' ' A' ' 43' ' ' PHE . 11.3 pt -126.42 136.88 59.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 41.7 t80 -97.92 131.55 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -111.6 125.65 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.1 179.94 15.96 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 57.34 46.98 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.73 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.7 mt -100.24 160.05 28.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.06 35.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.01 10.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -102.84 45.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.7 tp -98.76 156.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -129.82 153.39 48.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.431 HG22 ' CG2' ' A' ' 52' ' ' ILE . 5.0 m -66.58 -22.97 66.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -72.8 -56.8 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.501 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 27.3 m-20 -47.11 -45.08 21.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.7 mt -66.64 -31.18 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 1.2 tt0 -69.08 -57.88 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.17 -14.41 37.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.7 t -77.83 -65.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 25' ' ' ILE . 47.1 m-85 -72.47 -13.07 61.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.48 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.2 t80 -63.89 -26.82 68.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -64.2 -19.41 65.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -98.59 27.14 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.51 -114.78 2.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -146.98 169.01 20.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 7.7 mt -120.7 145.84 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.82 -42.69 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -170.41 144.84 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.431 ' CG2' HG22 ' A' ' 36' ' ' THR . 11.0 mt -122.68 129.56 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.29 114.54 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.462 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -116.69 123.54 47.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 3.0 mptt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.23 18.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.822 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.533 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 2.7 p90 -128.68 151.7 49.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -156.49 158.89 38.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -116.04 136.7 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 t -111.43 123.39 67.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.86 109.13 20.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 8.9 m-85 -82.88 169.34 16.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -81.43 -36.1 29.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -126.33 151.2 72.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -49.08 -33.66 12.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.76 -50.08 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -45.65 -33.73 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 41.9 mt-10 -80.99 -44.1 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.06 -31.55 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.31 -63.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.465 HG12 ' CE2' ' A' ' 95' ' ' PHE . 0.6 OUTLIER -55.45 -33.77 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.444 ' CD1' ' O ' ' A' ' 75' ' ' GLU . 2.4 m-30 -58.09 -18.08 22.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.8 -64.87 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.46 ' CZ ' HG12 ' A' ' 42' ' ' VAL . 33.8 mmt180 -40.07 -31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 16.8 t0 -62.97 93.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.5 20.85 6.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -82.71 153.53 25.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.06 113.01 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -121.46 128.58 52.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 61.99 21.01 12.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.94 -16.34 57.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.93 137.34 32.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.59 143.07 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.5 mt -112.96 148.0 35.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -121.29 99.57 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.442 HG12 ' CG2' ' A' ' 78' ' ' VAL . 3.5 t -96.98 126.81 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.03 153.77 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.465 ' CE2' HG12 ' A' ' 78' ' ' VAL . 31.0 m-85 -76.02 150.3 83.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.624 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 38.5 pt -102.7 147.1 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.8 t80 -111.02 129.0 56.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.74 133.32 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.88 178.48 18.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 61.43 31.48 19.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.02 159.94 69.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.54 29.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.804 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -28.27 9.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -106.67 50.12 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.514 HD12 ' CZ ' ' A' ' 86' ' ' TYR . 9.0 tp -96.4 156.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -130.87 137.34 49.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.468 HG22 ' CG2' ' A' ' 52' ' ' ILE . 4.3 m -49.66 -47.48 50.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -55.09 -56.26 21.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -49.88 -38.75 36.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 mt -73.07 -26.74 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.1 tt0 -73.38 -67.62 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 8.6 t70 -42.06 -41.1 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t -46.9 -65.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.624 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 46.2 m-85 -70.67 -31.71 68.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.54 -18.88 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -63.23 -13.58 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -100.13 -57.12 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.05 -128.92 1.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.33 162.43 21.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.5 mt -114.91 141.09 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -42.6 13.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.7 152.17 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 11.6 mt -127.72 115.95 41.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.82 110.57 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -114.42 124.37 51.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 126.14 9.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 10.6 p90 -125.06 154.25 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . . . -152.5 161.53 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -117.69 108.89 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.5 126.62 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -99.3 142.88 30.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -117.82 148.83 41.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.98 -38.66 91.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.86 156.55 65.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.05 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 -39.03 -56.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.16 -52.01 64.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -43.46 -30.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.01 -63.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -40.74 -33.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -69.35 -66.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.525 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -52.41 -33.36 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.411 ' N ' HG12 ' A' ' 78' ' ' VAL . 2.2 m-30 -65.99 -14.98 62.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.92 -68.3 0.27 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 6.1 mmp_? -38.86 -32.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 2.8 t70 -57.83 99.86 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.16 40.43 3.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -91.08 150.51 21.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -96.75 101.44 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.514 ' CZ ' HD12 ' A' ' 34' ' ' ILE . 26.4 t80 -103.99 106.71 17.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t0 53.71 28.18 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.96 -36.9 3.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -64.58 151.77 43.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -105.0 130.06 53.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.1 mt -103.56 153.48 20.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -124.45 100.2 6.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 78' ' ' VAL . 4.3 t -97.76 123.08 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.98 151.78 20.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.525 ' CE2' HG11 ' A' ' 78' ' ' VAL . 59.3 m-85 -74.54 148.43 85.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 8.0 ptp180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.2 pt -108.18 160.29 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -121.35 137.43 54.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.4 t -118.01 127.85 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.0 -175.21 14.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.425 1.078 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 90' ' ' ARG . 8.0 t-20 59.08 17.21 5.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.68 158.86 72.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.475 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.99 166.85 28.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -28.13 9.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -107.06 50.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.5 tp -97.23 156.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -130.83 143.26 50.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.508 ' CG2' ' CG2' ' A' ' 52' ' ' ILE . 1.9 m -53.59 -44.1 69.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -62.48 -52.9 61.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.497 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 65.7 m-20 -50.02 -41.8 48.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.5 mt -70.07 -26.57 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.8 tt0 -74.18 -64.3 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -51.55 -22.18 3.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.7 t -67.0 -52.76 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -82.33 -21.35 36.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -58.99 -14.82 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -13.79 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -99.8 -60.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.35 -128.12 1.81 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.76 164.76 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.9 mt -116.83 145.05 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -36.07 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -175.35 157.01 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.508 ' CG2' ' CG2' ' A' ' 36' ' ' THR . 34.4 mt -131.05 129.47 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.34 111.3 18.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 3.2 tp -113.52 127.33 56.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 2.7 mmmt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.78 23.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 35.9 p90 -127.82 156.55 42.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -159.58 166.55 30.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -118.98 144.18 46.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.35 122.08 68.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.14 115.05 29.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.527 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 6.2 m-85 -90.78 161.79 15.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -78.24 -43.44 28.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.04 150.83 44.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.96 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -48.14 -47.76 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.85 -57.56 3.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.43 -33.63 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -80.86 -67.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -40.33 -32.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.15 -62.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.445 ' CG2' HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -55.16 -32.44 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.416 ' N ' HG13 ' A' ' 78' ' ' VAL . 1.4 m-85 -73.41 -11.56 60.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -108.52 -76.49 0.94 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.569 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 30.4 mmt180 -38.74 -37.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.9 OUTLIER -43.41 98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 97.87 38.54 4.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 43.4 t80 -85.02 170.24 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.735 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 2.9 t70 -122.97 99.65 6.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -99.11 96.34 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.3 t0 55.7 32.21 18.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.41 -35.12 5.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.475 ' CG ' ' HB3' ' A' ' 31' ' ' PRO . 98.6 m-85 -70.47 108.32 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -73.58 127.68 33.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.0 mt -96.49 151.47 19.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -121.73 97.84 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.445 HG12 ' CG2' ' A' ' 78' ' ' VAL . 2.7 t -95.96 126.43 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -159.9 148.37 17.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.427 ' CE2' HG12 ' A' ' 78' ' ' VAL . 16.5 m-85 -70.08 150.19 96.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.564 HG23 ' CE1' ' A' ' 95' ' ' PHE . 12.0 pt -132.46 136.28 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 57.1 t80 -94.97 130.5 41.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 67.3 t -111.51 124.46 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.3 177.49 16.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.463 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 34.6 m-20 56.11 62.92 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -113.0 160.39 31.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 162.19 37.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.37 10.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.14 32.2 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.1 tp -86.5 156.46 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -128.47 159.21 36.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.473 HG22 ' CG2' ' A' ' 52' ' ' ILE . 2.2 m -72.1 -33.74 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' GLU . 1.4 tptt -73.88 -51.9 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -47.89 -44.81 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.3 mt -66.79 -29.14 45.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.1 tt0 -72.97 -51.36 18.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.29 -21.5 59.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.464 HG12 ' CZ ' ' A' ' 81' ' ' ARG . 39.3 t -70.02 -66.01 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 51.3 m-85 -66.2 -31.33 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.455 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -50.67 -25.58 4.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -57.05 -18.31 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 62.3 m-85 -99.31 -57.83 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.36 -138.55 3.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.75 151.03 47.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.6 mt -99.8 148.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -29.72 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 178.35 144.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.473 ' CG2' HG22 ' A' ' 36' ' ' THR . 11.8 mt -122.76 124.58 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.45 111.67 23.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 1.7 tp -110.92 123.94 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mttt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.98 10.33 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 11.7 p90 -121.51 154.15 37.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -158.95 157.23 30.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 6.5 m-85 -114.49 138.25 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -110.9 131.09 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -107.11 102.77 12.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 9.2 m-85 -76.88 164.47 25.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -79.03 -42.44 26.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.07 153.75 57.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.947 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -44.64 -45.1 9.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.64 -47.18 19.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -50.13 -27.24 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -89.59 -48.44 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -53.92 -31.24 49.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.88 -63.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -57.03 -32.85 41.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -59.93 -13.93 13.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.93 -68.94 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.529 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 26.6 mmt180 -38.69 -38.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 17.1 t0 -54.15 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 114.13 25.75 4.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -89.28 163.69 15.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -127.5 108.69 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -113.32 134.4 54.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 111.039 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t0 59.01 20.99 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.14 -17.42 53.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.45 134.68 33.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.79 143.88 34.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 7.8 mt -117.98 158.91 24.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.05 102.17 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.445 ' CG1' HG23 ' A' ' 78' ' ' VAL . 5.8 t -97.56 123.81 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.06 155.19 24.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 25' ' ' ILE . 67.3 m-85 -77.31 148.33 77.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.526 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 19.2 pt -124.92 140.47 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 56.6 t80 -100.7 126.23 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.0 t -111.44 116.33 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.67 -179.16 19.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 8.6 m-20 52.54 64.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 mt -112.11 158.55 36.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.69 32.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.09 11.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -104.78 47.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.6 tp -100.76 156.29 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -131.64 157.32 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -66.96 -40.13 87.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' GLU . 6.3 mttm -61.52 -58.66 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.495 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 69.0 m-20 -45.83 -46.82 15.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.7 -32.79 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -68.99 -64.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 7.0 t0 -51.22 -30.17 16.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.6 t -57.39 -64.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.526 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 28.7 m-85 -66.74 -27.78 67.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -52.7 -19.53 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HG2' ' NH2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -61.46 -15.61 39.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -98.7 -57.98 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.72 -126.62 1.65 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.46 164.54 20.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 54.9 mt -118.71 138.19 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -52.25 5.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -159.32 156.74 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 59.5 mt -135.34 138.56 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -126.68 116.14 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -115.71 123.38 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 133.33 16.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 18.3 p90 -130.07 154.83 47.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -155.36 167.16 31.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 13.4 m-85 -120.38 148.36 43.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 t -127.34 126.7 68.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.83 113.31 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.464 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 6.1 m-85 -84.81 161.65 19.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -74.43 -41.6 60.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.46 154.06 56.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.3 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -41.82 -45.16 3.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.1 -52.79 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.46 -37.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.22 -69.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' GLY . 7.8 m-20 -40.29 -33.97 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.5 -59.95 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.579 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.6 OUTLIER -56.38 -29.18 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.433 ' N ' HG12 ' A' ' 78' ' ' VAL . 3.4 m-85 -86.05 -29.16 23.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -82.73 -78.1 1.06 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.535 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 26.8 mmt180 -38.8 -40.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER -39.81 98.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 100.45 39.93 3.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 59.0 t80 -92.34 152.64 19.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 0.811 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.458 ' OD1' ' CA ' ' A' ' 88' ' ' GLY . 52.5 t0 -108.32 103.66 12.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -100.04 96.94 7.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 58.23 25.18 12.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.458 ' CA ' ' OD1' ' A' ' 85' ' ' ASP . . . 106.19 -28.0 15.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -76.48 109.04 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -75.2 124.17 26.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 17.5 mt -94.81 164.31 12.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -131.41 97.69 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.455 HG11 ' CG2' ' A' ' 78' ' ' VAL . 9.8 t -94.38 129.81 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -159.96 150.24 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.579 ' CE2' HG11 ' A' ' 78' ' ' VAL . 2.0 m-85 -72.05 150.12 92.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.03 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.415 HG21 ' CE1' ' A' ' 95' ' ' PHE . 8.5 pt -118.88 141.58 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 79.8 t80 -97.19 126.39 42.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 30' ' ' LEU . 85.6 t -107.9 108.1 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.27 169.81 15.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.475 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 5.4 m-20 59.84 74.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD2' HD21 ' A' ' 91' ' ' LEU . 19.1 mt -125.54 161.66 49.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 160.35 40.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -25.17 12.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.15 25.34 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.4 tp -84.01 155.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -131.36 178.73 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -86.55 -32.36 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -49.52 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.506 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 86.4 m-20 -56.33 -49.02 75.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.74 -17.54 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -81.81 -66.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.317 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 76.6 m-20 -55.84 -25.08 40.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.2 t -61.24 -62.79 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 25.3 m-85 -67.93 -26.32 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -54.52 -18.23 4.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -61.12 -15.08 29.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.438 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 42.2 m-85 -99.32 -53.25 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.55 -129.57 1.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.43 160.78 26.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.3 mt -117.16 144.74 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -32.07 15.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -179.56 161.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 49.9 mt -136.28 116.72 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.46 107.07 17.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 1.2 tp -108.03 121.27 44.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 7.5 mmtt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.07 11.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 6.6 p90 -123.36 152.42 41.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -153.24 161.5 42.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 8.9 m-85 -120.64 112.49 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 t -90.06 136.99 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.14 117.46 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 14.6 m-85 -90.0 167.42 12.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.18 -40.31 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.82 154.62 48.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -45.91 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -43.25 -52.02 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -57.17 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.72 -37.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 77' ' ' ALA . 2.9 mt-10 -75.44 -70.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -40.78 -32.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -69.41 -59.88 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.571 HG12 ' CZ ' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -56.82 -30.97 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.423 ' N ' HG13 ' A' ' 78' ' ' VAL . 3.5 m-85 -85.8 -14.1 46.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -96.45 -81.19 1.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.464 ' CZ ' HG12 ' A' ' 42' ' ' VAL . 29.0 mmt180 -38.76 -32.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -47.23 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.92 23.31 6.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ARG . 8.4 t80 -78.89 138.93 38.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.52 100.55 10.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -118.83 128.35 54.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 t0 67.51 20.69 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.55 2.38 90.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -105.23 147.11 28.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.29 100.11 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 22.9 mt -69.11 158.2 35.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -127.94 111.7 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.474 HG12 ' CG2' ' A' ' 78' ' ' VAL . 45.5 t -106.63 127.96 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -160.11 155.98 26.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 78' ' ' VAL . 11.1 m-85 -72.12 148.17 91.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 110.975 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.566 HD12 ' CE1' ' A' ' 43' ' ' PHE . 21.5 pt -116.52 141.17 35.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -102.12 132.93 47.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.3 135.46 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.28 173.71 20.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 58.42 57.02 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 91' ' ' LEU . 11.6 mt -104.44 160.96 24.31 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 164.58 33.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -25.42 11.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.38 51.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.7 tp -95.3 155.98 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.82 134.48 49.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.471 HG22 ' CG2' ' A' ' 52' ' ' ILE . 23.3 m -52.3 -34.72 48.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -69.56 -56.25 7.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -48.49 -36.61 15.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.5 mt -73.53 -32.35 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' LYS . 2.4 tt0 -64.49 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -41.25 -48.33 3.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -43.21 -66.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CE1' HD12 ' A' ' 25' ' ' ILE . 46.5 m-85 -66.35 -34.74 78.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.057 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -52.55 -19.5 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -15.64 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -99.51 -57.59 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.9 -127.3 1.4 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.04 162.45 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 58.5 mt -116.94 134.02 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -44.38 51.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -172.74 157.48 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.471 ' CG2' HG22 ' A' ' 36' ' ' THR . 27.4 mt -128.87 111.0 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.4 110.89 23.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 2.0 tp -113.0 125.15 54.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.84 10.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 14.8 p90 -121.75 156.4 33.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -156.27 160.63 39.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -116.3 111.42 20.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.2 t -90.08 128.88 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -107.71 141.34 39.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 11.2 m-85 -114.03 160.01 19.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -75.8 -33.62 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -124.27 152.08 67.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.49 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.479 1.779 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -42.0 -63.03 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.5 OUTLIER -56.4 -53.96 51.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -42.09 -32.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' A' ' 79' ' ' TYR . 3.5 mt-10 -81.65 -43.0 19.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . 5.7 m-20 -62.57 -33.66 75.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -68.98 -56.06 8.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.545 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -62.9 -30.75 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 3.7 m-30 -67.01 -16.71 64.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -120.22 -68.35 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 6.3 mmp_? -38.31 -30.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.5 t70 -61.66 94.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.29 35.56 2.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -90.2 145.32 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.13 96.2 6.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -89.63 101.42 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 t70 54.15 35.41 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.92 -37.37 3.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -69.7 105.26 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 114.42 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 30' ' ' LEU . 41.2 mt -80.96 162.29 23.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.01 99.11 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.468 HG11 ' CG2' ' A' ' 78' ' ' VAL . 4.8 t -96.56 130.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.54 154.33 22.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.545 ' CE2' HG11 ' A' ' 78' ' ' VAL . 21.0 m-85 -78.42 150.19 76.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.534 HD12 ' CE2' ' A' ' 43' ' ' PHE . 4.1 pt -119.99 156.95 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -117.94 138.01 52.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.6 t -118.28 130.11 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.19 -175.68 14.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.62 56.08 8.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.92 159.79 28.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.56 28.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.66 11.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -107.52 48.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -96.4 155.74 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -129.27 160.18 33.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.417 HG23 ' CG2' ' A' ' 52' ' ' ILE . 86.3 m -76.08 -20.22 57.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.98 -51.61 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 3.9 m-20 -54.75 -39.14 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mt -73.96 -21.93 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.2 tt0 -76.46 -65.23 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.33 -34.86 49.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.3 t -50.67 -62.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CE2' HD12 ' A' ' 25' ' ' ILE . 31.1 m-85 -70.17 -32.97 71.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -47.38 -23.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.503 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -60.36 -17.25 42.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.503 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 55.4 m-85 -95.93 -54.92 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.51 -130.79 1.69 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -120.77 166.98 12.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 74.9 mt -120.76 152.35 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.06 -40.58 6.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -171.74 154.19 3.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 26.1 mt -129.34 122.54 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -106.49 110.43 22.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.47 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 2.1 tp -111.91 123.46 50.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 6.0 mmtt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 125.79 9.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 17.3 p90 -120.88 157.7 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -156.6 160.22 39.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -118.53 120.95 39.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.64 137.0 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -111.34 109.3 19.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -88.03 156.81 19.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -73.55 -38.77 65.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.98 151.87 58.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.7 mtt85 -39.42 -50.09 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -72.38 -52.96 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -43.95 -30.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 76' ' ' ASP . 3.4 mt-10 -82.5 -65.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' GLU . 74.4 m-20 -39.75 -37.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.2 -62.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.561 HG13 ' CZ ' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -52.77 -28.24 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.43 ' N ' HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -80.98 -32.45 34.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.47 -72.2 1.23 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 28.6 mmt180 -38.14 -42.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -40.02 99.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 98.82 40.51 3.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.601 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 30.9 t80 -83.75 170.7 13.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -128.35 94.48 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -91.64 95.49 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.94 37.75 25.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.79 -38.92 2.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -69.16 107.65 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -73.05 135.85 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.6 mt -103.59 161.71 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.7 97.39 4.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.426 HG11 ' CG2' ' A' ' 78' ' ' VAL . 2.7 t -96.4 127.54 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -160.09 176.9 11.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.561 ' CZ ' HG13 ' A' ' 78' ' ' VAL . 14.8 m-85 -99.04 149.94 36.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.483 HG23 ' CE1' ' A' ' 95' ' ' PHE . 8.9 pt -129.02 147.91 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -107.58 130.59 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG11 ' CD1' ' A' ' 30' ' ' LEU . 39.2 t -106.4 124.16 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.6 174.5 15.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.491 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 40.6 m-20 48.19 81.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.444 ' CD1' HG11 ' A' ' 27' ' ' VAL . 22.8 mt -127.32 161.48 54.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.9 38.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.18 11.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.21 49.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.418 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.7 tp -98.88 155.89 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.38 147.85 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.423 ' CG2' ' HB ' ' A' ' 52' ' ' ILE . 89.8 m -64.86 -30.78 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.3 tptt -73.76 -53.24 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.498 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 76.9 m-20 -48.97 -41.59 34.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.418 HD11 ' CG1' ' A' ' 34' ' ' ILE . 20.5 mt -69.82 -28.21 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.8 tt0 -72.4 -50.12 28.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.69 -19.4 65.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 24.9 t -71.95 -65.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -67.94 -27.6 66.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -50.37 -24.99 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.506 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -58.95 -16.72 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.506 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 75.8 m-85 -99.56 -54.19 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.49 -144.34 3.89 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.06 149.21 42.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.5 mt -101.01 147.28 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -33.27 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -174.45 149.75 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 15.9 mt -129.02 116.92 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.57 112.1 24.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 2.1 tp -111.94 123.55 50.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.0 mttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.97 11.14 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.512 1.796 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 23.9 p90 -122.3 157.18 32.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -157.17 161.94 39.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -119.01 119.53 34.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.7 t -99.07 136.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -113.89 124.84 53.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -101.29 154.93 18.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.92 -47.09 81.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.78 151.82 52.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.57 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -39.02 -65.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 74' ' ' ALA . 1.6 p30 -62.19 -43.69 98.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.448 ' N ' ' OD1' ' A' ' 73' ' ' ASP . . . -43.28 -39.69 3.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 8.8 mt-10 -77.56 -52.9 8.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -54.47 -24.08 18.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -87.09 -63.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.486 HG12 ' CZ ' ' A' ' 95' ' ' PHE . 1.3 p -48.14 -36.46 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 75' ' ' GLU . 14.3 m-30 -75.62 -36.33 60.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -67.79 -80.44 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.468 ' CZ ' HG13 ' A' ' 42' ' ' VAL . 26.0 mmt180 -38.93 -41.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -39.98 98.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 107.62 32.4 3.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -97.75 160.83 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.02 113.61 21.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -120.27 120.05 34.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.39 16.17 8.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.0 -1.31 77.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -98.55 147.44 24.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -91.56 110.82 22.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 12.4 mt -84.25 162.99 19.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -132.44 101.59 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 78' ' ' VAL . 84.2 t -96.3 128.53 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.24 166.67 29.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.486 ' CZ ' HG12 ' A' ' 78' ' ' VAL . 9.1 m-85 -81.92 147.83 59.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.459 HD13 ' CE2' ' A' ' 43' ' ' PHE . 3.7 pt -121.92 147.26 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -104.56 130.13 52.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.2 t -116.95 113.99 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.85 -177.1 18.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.21 49.97 10.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.7 mt -101.16 159.93 28.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 165.8 30.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.15 12.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -102.06 41.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -99.03 158.27 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -129.24 177.19 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.435 ' CG2' HG23 ' A' ' 52' ' ' ILE . 24.0 m -88.8 -23.21 22.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.11 -48.38 8.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -52.4 -37.5 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.33 -26.87 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.7 tt0 -71.52 -68.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 13.7 t70 -43.16 -34.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 t -59.71 -64.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CE2' HD13 ' A' ' 25' ' ' ILE . 20.1 m-85 -65.84 -25.4 67.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -57.65 -15.84 8.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HG2' ' NH2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.9 -16.88 64.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -97.98 -52.61 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.84 -143.73 3.78 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.06 145.4 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 43.9 mt -101.14 142.79 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -92.69 -33.65 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -176.3 160.45 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 34.1 mt -133.94 143.65 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.88 101.14 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -92.9 116.52 29.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 6.0 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.43 19.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.505 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 2.9 p90 -130.87 152.64 49.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.447 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -155.91 158.63 38.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -109.74 156.14 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.5 t -133.21 131.16 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.55 112.05 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 12.4 m-85 -86.56 155.52 20.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.67 -31.81 70.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.92 153.87 81.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -40.13 -46.38 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.23 -49.04 13.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -47.16 -33.2 4.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.54 -65.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -40.19 -36.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.32 -65.8 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.573 HG12 ' CZ ' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -52.45 -30.07 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.429 ' N ' HG13 ' A' ' 78' ' ' VAL . 2.2 m-85 -79.66 -25.13 41.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -93.4 -75.62 1.3 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 83' ' ' GLY . 67.0 mmt-85 -37.79 -39.42 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.769 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -45.87 95.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 102.87 33.3 4.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 81' ' ' ARG . 17.6 t80 -96.29 163.17 13.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -128.16 111.69 13.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -119.14 134.22 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t0 61.38 16.18 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.68 -14.98 64.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.66 140.85 29.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 0.799 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.27 139.49 34.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.12 159.45 17.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.54 99.21 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.465 HG12 ' CG2' ' A' ' 78' ' ' VAL . 5.9 t -97.76 129.7 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -159.95 155.77 26.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.573 ' CZ ' HG12 ' A' ' 78' ' ' VAL . 6.4 m-85 -75.6 150.4 84.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.557 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 10.3 pt -123.45 151.7 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 2.2 t80 -113.72 132.23 55.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.75 135.39 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.55 -178.57 15.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m120 58.27 33.02 22.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.7 mt -84.22 159.7 58.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.98 163.29 35.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.542 1.812 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -25.39 11.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.557 1.819 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.26 40.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.429 HG12 ' CD1' ' A' ' 39' ' ' ILE . 9.1 tp -89.07 156.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -131.01 142.46 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.8 m -55.23 -42.69 73.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -61.59 -58.08 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.498 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 20.6 m-20 -48.91 -41.87 35.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.429 ' CD1' HG12 ' A' ' 34' ' ' ILE . 95.3 mt -70.2 -28.44 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.1 tt0 -71.1 -63.29 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -49.79 -30.8 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 11.6 t -57.72 -66.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 30.6 m-85 -64.51 -23.08 67.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.28 -13.64 13.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.533 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.1 OUTLIER -64.34 -14.27 55.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.533 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 60.7 m-85 -102.88 -59.83 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.81 -129.73 1.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.87 163.07 20.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.767 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.5 147.2 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.2 -32.7 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -179.09 160.16 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 25.9 mt -135.06 112.93 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -100.63 110.85 23.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 64' ' ' ALA . 3.4 tp -110.22 123.16 49.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 12.4 mmtt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.827 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 125.88 9.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 13.8 p90 -123.37 154.67 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.459 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . . . -151.14 164.09 37.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -119.06 112.53 19.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.7 t -91.53 137.74 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -117.77 118.44 32.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 6.9 m-85 -92.82 156.63 16.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.84 -47.38 69.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.52 155.54 43.63 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ARG . 18.2 Cg_endo -75.05 -48.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PRO . 73.5 mtt180 -38.5 -56.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.41 ' OD2' ' CE1' ' A' ' 68' ' ' PHE . 4.4 t70 -65.63 -49.46 68.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.459 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -45.16 -35.08 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mt-10 -80.27 -59.47 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -46.59 -25.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -79.82 -67.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.563 HG12 ' CZ ' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -46.7 -32.51 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 75' ' ' GLU . 11.5 m-30 -68.75 -52.19 33.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -75.86 -68.15 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.561 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 4.6 mmm180 -36.75 -39.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -54.57 90.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 108.96 37.34 2.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.423 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 82.8 t80 -91.87 168.29 11.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -124.31 111.99 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -105.67 96.23 6.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.57 28.92 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.34 -33.12 6.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 93.5 m-85 -70.47 109.34 4.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 127.31 32.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.467 ' CD1' ' NH2' ' A' ' 81' ' ' ARG . 22.6 mt -98.38 160.99 13.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -131.81 98.66 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.8 t -97.48 136.74 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.11 154.55 23.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CZ ' HG12 ' A' ' 78' ' ' VAL . 2.1 m-85 -76.67 150.36 81.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.537 ' CG2' ' CE1' ' A' ' 95' ' ' PHE . 15.3 pt -108.3 154.45 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.46 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 9.3 t80 -110.5 126.25 54.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.65 134.97 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.76 176.73 18.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.2 m120 53.49 54.86 9.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' CD2' HD21 ' A' ' 91' ' ' LEU . 18.9 mt -100.55 159.49 29.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.43 ' HG3' ' CD1' ' A' ' 86' ' ' TYR . 18.2 Cg_endo -75.02 165.62 30.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.32 12.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -110.23 51.52 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 9.3 tp -96.93 156.29 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -130.39 142.81 50.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.436 HG23 ' CG2' ' A' ' 52' ' ' ILE . 90.9 m -58.06 -21.32 45.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.1 mttt -82.12 -61.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -44.3 -35.79 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.401 ' CD1' HG13 ' A' ' 34' ' ' ILE . 16.1 mt -76.17 -40.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 1.1 tt0 -60.26 -58.42 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -43.52 -51.89 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.6 t -43.01 -63.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 54.5 m-85 -65.49 -29.27 69.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' GLU . 4.4 t80 -57.55 -15.97 8.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -12.53 55.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -99.64 -58.57 1.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.19 -126.29 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.7 161.12 27.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.3 mt -110.89 139.74 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -86.39 -32.94 20.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.7 t0 179.33 155.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 10.6 mt -130.53 119.92 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -103.76 109.12 20.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 3.2 tp -110.53 124.05 51.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.066 -0.398 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.25 11.28 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 6.9 p90 -122.07 151.74 40.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -151.75 168.04 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 64.2 m-85 -122.47 118.64 28.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.4 t -98.42 127.23 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -108.42 143.18 37.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 62.2 m-85 -115.96 163.02 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -73.58 -25.54 60.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.52 158.43 72.01 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -45.26 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -44.48 -35.12 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -85.69 -41.97 14.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.484 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . . . -53.86 -35.32 61.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.88 -55.81 3.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -40.29 -34.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -69.66 -65.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.475 ' CG2' HG11 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.02 -32.04 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.423 ' N ' HG12 ' A' ' 78' ' ' VAL . 2.2 m-30 -68.91 -11.48 60.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.19 -69.9 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 6.0 mmp_? -38.53 -48.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 3.6 t0 -40.47 99.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 101.91 40.55 2.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -89.33 167.87 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.92 103.08 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 31' ' ' PRO . 45.9 t80 -98.32 93.74 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.4 t0 53.16 36.85 23.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.04 -38.33 3.19 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -69.43 108.91 3.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 138.9 46.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.409 HD21 ' CD2' ' A' ' 30' ' ' LEU . 55.4 mt -107.99 154.62 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -125.85 97.76 5.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.475 HG11 ' CG2' ' A' ' 78' ' ' VAL . 8.1 t -92.91 129.56 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.13 144.75 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.537 ' CE1' ' CG2' ' A' ' 25' ' ' ILE . 2.5 m-85 -69.54 150.28 96.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 13.1 pt -128.14 136.08 61.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -98.82 130.32 45.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.95 131.85 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.45 173.62 19.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 60.92 46.07 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.7 mt -94.64 159.56 33.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 165.42 31.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.21 11.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -105.5 47.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.3 tp -99.57 157.04 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 11.6 mmt180 -130.31 -179.69 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.46 HG22 ' CG2' ' A' ' 52' ' ' ILE . 2.6 m -88.03 -35.45 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.449 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -49.13 66.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.433 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 29.7 m-20 -56.9 -42.79 80.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 35' ' ' ARG . 67.5 mt -71.48 -19.3 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.8 tt0 -79.07 -64.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -51.65 -32.3 28.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.6 t -51.27 -62.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.688 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 41.8 m-85 -72.6 -38.72 67.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -44.35 -25.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD3' ' NH1' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -55.64 -19.17 9.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -95.14 -54.18 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.4 -130.19 1.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -120.81 158.47 27.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.7 mt -109.76 149.79 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -35.56 11.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -179.05 154.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 61.3 mt -133.18 119.56 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.68 110.29 22.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD1' ' HB1' ' A' ' 64' ' ' ALA . 4.6 tp -109.66 129.67 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.4 mttt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.2 8.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.781 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 18.3 p90 -123.33 155.29 37.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.465 ' HB1' ' CD1' ' A' ' 54' ' ' LEU . . . -148.45 157.94 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -119.48 108.24 14.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.455 ' CG1' HG12 ' A' ' 52' ' ' ILE . 3.6 t -93.16 139.03 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -119.81 134.52 55.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 10.0 m-85 -101.66 159.33 15.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.87 -26.91 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.71 159.83 67.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -41.95 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -39.16 -62.03 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' GLU . 0.7 OUTLIER -66.06 -48.17 71.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.63 -33.04 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 77' ' ' ALA . 2.2 mt-10 -82.62 -66.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -40.41 -30.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -74.33 -67.77 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.572 HG13 ' CZ ' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -47.19 -33.11 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.413 ' N ' HG11 ' A' ' 78' ' ' VAL . 6.8 m-85 -82.9 -30.69 28.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -81.48 -77.56 1.02 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NH2' ' CD2' ' A' ' 84' ' ' TYR . 24.3 mmm180 -39.29 -40.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -50.47 112.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.15 26.95 9.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.601 ' CD2' ' NH2' ' A' ' 81' ' ' ARG . 21.1 t80 -98.24 148.0 24.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.52 116.78 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 82.0 t80 -125.1 128.22 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 t0 59.74 22.74 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.87 -11.92 58.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.04 130.18 36.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.32 135.03 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.0 mt -106.79 163.49 12.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 97.82 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 78' ' ' VAL . 32.1 t -94.46 127.29 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -160.01 151.15 19.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.572 ' CZ ' HG13 ' A' ' 78' ' ' VAL . 10.2 m-85 -65.69 148.52 98.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.6 pt -117.41 153.81 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.534 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 13.2 t80 -110.73 129.43 55.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.3 t -113.69 127.19 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.88 -174.5 13.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.421 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 8.5 m-20 52.87 52.68 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.3 mt -98.66 159.16 31.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -74.94 167.17 27.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.19 7.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -103.99 48.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.59 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 8.5 tp -96.0 155.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -130.86 136.97 49.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.474 ' CG2' HG23 ' A' ' 52' ' ' ILE . 1.2 m -51.77 -34.7 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -72.33 -52.53 15.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -51.59 -38.07 52.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.4 mt -73.52 -25.4 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -73.76 -68.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 12.8 t70 -40.95 -29.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 HG11 ' CZ ' ' A' ' 81' ' ' ARG . 2.5 t -60.42 -65.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -72.12 -19.26 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -57.68 -16.22 10.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -73.77 -13.22 60.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.563 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 59.4 m-85 -104.21 27.22 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.64 -119.13 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.61 159.61 41.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 58.2 mt -114.05 135.23 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -73.09 -49.9 25.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -170.75 161.01 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.474 HG23 ' CG2' ' A' ' 36' ' ' THR . 61.8 mt -132.6 134.67 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.67 102.01 9.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.47 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -89.37 113.56 24.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' CB ' ' CE2' ' A' ' 63' ' ' PHE . 1.1 mptt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 130.81 13.59 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE2' ' CB ' ' A' ' 55' ' ' LYS . 16.7 p90 -121.12 157.51 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -159.85 160.81 34.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 18.0 m-85 -116.46 127.99 55.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.6 t -102.31 132.62 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -105.89 96.49 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.412 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.7 m-85 -71.79 164.59 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -85.23 -41.36 15.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.97 147.54 42.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -47.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -39.56 -40.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -84.09 -47.12 11.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -45.09 -32.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 78' ' ' VAL . 5.2 mt-10 -77.17 -70.68 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -41.32 -34.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.69 -53.81 24.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.558 HG13 ' CZ ' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -65.5 -28.79 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.43 ' N ' HG11 ' A' ' 78' ' ' VAL . 2.5 m-85 -86.05 -13.87 46.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -100.48 -80.75 1.54 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.465 ' CZ ' HG11 ' A' ' 42' ' ' VAL . 30.7 mmt180 -38.26 -32.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 0.738 . . . . 0.0 110.309 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -44.75 106.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.56 39.81 7.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -88.23 158.32 18.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.38 97.06 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.59 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 28.2 t80 -100.69 100.56 11.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 t0 65.28 16.73 10.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.45 -21.89 27.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.56 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 75.5 m-85 -75.38 134.18 41.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.26 96.97 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 44.7 mt -66.19 160.85 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.73 98.34 4.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.466 HG13 ' CG2' ' A' ' 78' ' ' VAL . 2.4 t -99.16 130.68 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.99 152.86 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 110.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CZ ' HG13 ' A' ' 78' ' ' VAL . 6.0 m-85 -72.9 150.45 90.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 43' ' ' PHE . 5.9 pt -113.55 153.7 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -109.65 133.48 53.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.1 t -113.44 124.41 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.72 171.19 15.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.153 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.466 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 10.3 m-20 57.71 69.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD22 ' CD ' ' A' ' 31' ' ' PRO . 16.1 mt -116.39 161.73 30.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' CD ' HD22 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 161.46 38.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.18 11.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.47 40.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.3 tp -91.29 155.59 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -130.06 146.75 51.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.462 HG21 ' CG2' ' A' ' 52' ' ' ILE . 2.7 m -63.93 -17.12 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -85.0 -60.3 2.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.504 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 75.2 m-20 -46.4 -37.93 8.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mt -71.94 -36.41 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -59.06 -55.28 37.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 40' ' ' GLU . 75.0 m-20 -59.43 -44.32 92.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 32.1 t -43.24 -52.8 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 26.4 m-85 -77.33 -37.1 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -47.88 -22.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 42' ' ' VAL . 6.9 ptpp? -58.32 -17.02 16.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -98.64 -57.02 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.68 -130.21 1.71 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.82 160.67 25.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.0 mt -117.04 142.62 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -87.92 -38.13 15.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -174.16 158.54 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.462 ' CG2' HG21 ' A' ' 36' ' ' THR . 52.8 mt -132.34 134.97 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -121.91 115.73 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.457 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 1.6 tp -116.38 125.02 51.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.551 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 132.48 15.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.551 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 8.7 p90 -125.15 155.79 39.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -159.04 165.1 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -117.96 148.0 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.15 124.43 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.82 122.4 44.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.242 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.455 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 10.6 m-85 -101.47 156.31 17.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -72.94 -34.11 66.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -128.55 149.11 70.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -45.75 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -42.0 -45.46 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.07 -39.45 33.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -55.56 -26.61 44.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 77' ' ' ALA . 3.9 mt-10 -84.1 -61.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.39 -28.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -79.68 -69.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.572 HG11 ' CZ ' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -41.56 -33.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -70.51 -56.46 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.56 -63.52 3.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 5.4 mmm180 -38.76 -49.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.97 97.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 109.55 36.75 2.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -101.27 156.82 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 111.016 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -124.65 109.85 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -118.99 133.84 55.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 60.73 17.62 7.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.77 -12.34 67.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -91.69 145.08 24.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.91 143.1 28.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 8.2 mt -120.2 163.74 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -133.8 106.2 7.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.462 HG13 ' CG2' ' A' ' 78' ' ' VAL . 25.5 t -101.23 124.93 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -159.82 157.51 29.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.572 ' CZ ' HG11 ' A' ' 78' ' ' VAL . 26.1 m-85 -73.88 150.3 88.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.438 HG22 ' CE1' ' A' ' 95' ' ' PHE . 23.5 pt -97.14 132.63 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.459 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 29.9 t80 -95.55 135.32 37.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -114.75 139.51 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.25 -175.98 14.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 56.3 27.25 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.257 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.2 mt -74.94 158.49 84.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 166.45 29.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.72 7.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -104.9 48.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 tp -94.36 155.32 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -128.86 144.09 51.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.467 HG22 ' CG2' ' A' ' 52' ' ' ILE . 12.2 m -56.98 -26.54 60.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -76.93 -56.62 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -47.91 -45.69 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.44 -28.31 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -73.8 -67.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.423 ' HA ' ' CB ' ' A' ' 44' ' ' TYR . 28.7 m-20 -44.27 -28.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.25 -61.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -78.33 -20.83 50.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 41' ' ' ASP . 12.1 t80 -56.67 -16.3 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HD3' ' NH2' ' A' ' 81' ' ' ARG . 13.7 ptmt -72.87 -17.05 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -95.84 -60.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -143.89 -146.79 4.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.64 144.5 43.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 56.4 mt -98.78 139.43 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -91.78 -31.81 15.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.6 155.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.467 ' CG2' HG22 ' A' ' 36' ' ' THR . 46.5 mt -131.2 106.83 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.96 109.19 20.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.459 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 2.2 tp -112.0 125.41 54.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 8.0 mttt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.29 9.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 12.7 p90 -122.54 155.43 36.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -156.82 167.27 30.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -124.38 111.96 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.7 t -90.65 132.46 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.26 138.23 45.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -110.33 146.85 35.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -60.26 -47.35 86.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -110.72 156.24 40.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -49.82 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -42.51 -55.12 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -51.46 68.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.94 -39.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 77' ' ' ALA . 6.0 mt-10 -76.32 -62.43 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 80' ' ' GLY . 79.2 m-20 -40.43 -30.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -75.06 -67.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.508 HG11 ' CZ ' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -46.61 -33.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.416 ' N ' HG12 ' A' ' 78' ' ' VAL . 8.6 m-85 -85.17 -32.71 22.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -66.46 -65.74 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.649 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 35.5 mmt180 -67.69 -97.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER 41.22 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.08 36.72 6.55 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.649 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 67.9 t80 -80.77 140.78 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -87.25 111.7 21.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -112.3 91.86 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 63.13 21.06 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.39 -23.59 26.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -79.68 117.35 20.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.985 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.75 137.49 39.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.1 mt -110.52 151.72 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.93 105.05 11.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 78' ' ' VAL . 3.5 t -103.68 120.21 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -159.92 147.55 16.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.508 ' CZ ' HG11 ' A' ' 78' ' ' VAL . 13.9 m-85 -66.96 147.89 98.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.566 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 31.7 pt -106.76 153.7 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 65' ' ' PHE . 63.3 t80 -114.57 131.19 56.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 111.066 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.5 t -110.26 126.13 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.18 -177.78 16.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 m120 50.29 59.53 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.414 HD21 ' CD2' ' A' ' 91' ' ' LEU . 29.1 mt -104.22 159.5 29.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 165.76 30.67 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.7 11.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -109.4 50.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 tp -96.87 156.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -129.23 140.94 51.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.464 ' CG2' ' HB ' ' A' ' 52' ' ' ILE . 46.6 m -58.12 -26.99 63.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -74.85 -55.15 6.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.495 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 3.7 m-20 -50.54 -35.29 28.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -75.34 -26.7 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.4 tt0 -71.28 -62.49 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.84 -36.33 58.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.7 t -49.01 -53.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 34.7 m-85 -81.96 -40.89 21.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -38.48 -37.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.71 -30.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -83.6 -54.74 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.21 -130.92 1.73 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.92 164.69 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 39.4 mt -114.27 156.2 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -105.51 -26.72 11.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 t0 174.9 155.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.464 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 10.5 mt -130.96 121.83 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.09 109.79 21.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 1.8 tp -113.71 126.94 55.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.3 mttt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.87 15.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 21.0 p90 -129.11 154.4 46.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -157.81 159.0 36.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 51.0 m-85 -114.13 137.73 51.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.4 122.93 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -94.8 137.79 33.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -112.37 148.19 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.9 -38.11 87.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.27 156.49 63.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -49.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -40.23 -61.63 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.34 -46.91 82.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.539 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -50.15 -28.44 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -88.8 -50.31 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -52.12 -30.46 26.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -76.32 -64.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.55 HG12 ' CZ ' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -51.63 -32.19 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -65.25 -18.96 65.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.31 -65.36 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.555 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 72.6 mmt-85 -39.13 -34.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 0.731 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 98.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.01 35.32 4.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.401 ' CG ' ' N ' ' A' ' 85' ' ' ASP . 66.6 t80 -84.53 165.88 17.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 25.7 t70 -116.92 95.03 4.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -90.5 95.49 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t70 56.43 30.79 17.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.68 -35.07 5.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.556 1.16 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -69.01 114.74 7.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -74.0 132.19 42.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.414 ' CD2' HD21 ' A' ' 30' ' ' LEU . 50.7 mt -107.08 148.32 28.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.29 97.6 5.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 78' ' ' VAL . 2.1 t -97.52 125.78 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -160.08 150.37 18.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.55 ' CZ ' HG12 ' A' ' 78' ' ' VAL . 32.8 m-85 -70.8 145.73 92.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 43' ' ' PHE . 6.9 pt -113.62 128.83 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -88.86 131.49 35.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.0 t -109.89 131.7 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.33 179.61 16.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 6.7 m-80 54.47 58.05 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.4 mt -108.83 158.91 32.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.68 30.73 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.447 1.761 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -28.34 9.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -104.82 47.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.6 tp -96.56 155.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -128.42 148.65 50.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.44 ' CG2' ' HB ' ' A' ' 52' ' ' ILE . 59.5 m -64.33 -19.76 65.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -80.96 -57.28 3.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.24 -38.49 18.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.8 mt -72.22 -33.22 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 37' ' ' LYS . 1.7 tt0 -63.18 -65.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 2.7 t70 -40.24 -49.36 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.7 t -43.25 -66.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 25' ' ' ILE . 50.8 m-85 -66.84 -50.91 61.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -42.58 -27.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.542 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -53.09 -20.89 4.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.542 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 70.2 m-85 -96.33 -54.37 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.47 -140.57 3.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.58 148.87 43.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.2 mt -103.21 146.25 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -28.25 17.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 t70 177.86 154.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.44 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 35.2 mt -128.55 122.53 57.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.19 112.9 26.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 1.8 tp -113.94 123.79 50.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 11.4 mttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.37 11.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 22.8 p90 -123.71 156.54 35.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -157.54 162.34 38.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -117.66 146.11 43.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.15 129.86 73.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -107.52 110.23 22.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.25 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -87.73 156.76 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -73.35 -17.98 61.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.1 151.11 40.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.86 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -48.37 -45.33 35.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.5 m-20 -74.84 -55.13 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.33 -38.05 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -74.21 -48.16 30.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 73' ' ' ASP . 31.9 m-20 -51.03 -32.29 21.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.25 -63.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.449 HG12 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -52.04 -31.93 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.412 ' N ' HG13 ' A' ' 78' ' ' VAL . 3.1 m-30 -66.57 -11.63 53.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -125.27 -67.11 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.616 ' N ' ' HE ' ' A' ' 81' ' ' ARG . 1.2 mmp_? -40.01 -29.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' GLY . 2.5 t0 -65.46 102.28 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.58 32.32 5.18 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -90.5 144.96 25.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.47 94.56 5.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -88.32 100.1 12.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t70 60.78 26.54 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.09 -29.8 11.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -73.71 109.53 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.11 104.18 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 62.7 mt -70.55 167.88 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -139.26 99.47 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.9 t -99.79 126.78 53.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -159.87 147.8 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.449 ' CE2' HG12 ' A' ' 78' ' ' VAL . 40.3 m-85 -68.73 150.19 97.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.518 HD12 ' CE2' ' A' ' 43' ' ' PHE . 21.4 pt -126.19 156.66 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -112.81 131.32 55.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 t -116.3 125.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.72 -176.38 14.46 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 60.64 28.33 18.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD2' HD23 ' A' ' 91' ' ' LEU . 7.1 mt -78.23 158.52 76.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.65 26.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -29.79 7.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -104.36 49.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.3 tp -98.07 156.49 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.09 152.79 48.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.461 HG22 ' CG2' ' A' ' 52' ' ' ILE . 95.9 m -65.26 -22.89 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -80.85 -54.03 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -49.25 -39.36 30.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mt -71.66 -28.74 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LYS . 2.6 tt0 -70.86 -68.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -42.57 -41.2 2.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -50.03 -65.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 27.8 m-85 -66.52 -38.42 87.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -45.63 -24.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -19.51 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -95.17 -55.45 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.06 -130.21 1.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.48 162.82 24.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 0.781 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.432 HG22 ' CG1' ' A' ' 52' ' ' ILE . 31.8 mt -115.27 145.68 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.08 -40.05 11.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -169.42 152.8 4.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.461 ' CG2' HG22 ' A' ' 36' ' ' THR . 32.1 mt -129.74 135.17 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -123.6 114.17 19.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -115.41 123.39 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 2.5 mptt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.21 9.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 17.5 p90 -119.01 155.22 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -157.96 163.16 38.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -117.19 149.61 40.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -125.38 127.65 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -109.28 121.5 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 m-85 -94.71 165.57 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -78.55 -35.08 46.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.39 158.99 56.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -47.74 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -43.23 -58.81 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -58.38 -47.18 84.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -51.42 -25.91 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.74 -55.5 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -51.46 -30.31 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.46 -62.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.57 HG13 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -58.59 -31.92 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.42 ' N ' HG11 ' A' ' 78' ' ' VAL . 2.5 m-30 -63.73 -11.57 27.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -121.72 -69.43 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.617 ' N ' ' HE ' ' A' ' 81' ' ' ARG . 1.4 mmp_? -39.6 -29.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 11.9 t0 -63.67 92.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.22 8.39 14.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -64.11 163.94 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -127.7 112.65 15.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -132.66 127.34 34.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.3 t0 67.09 18.69 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.78 7.5 85.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -107.36 135.76 48.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 91.33 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' ' 30' ' ' LEU . 8.7 mt -56.7 152.75 11.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.87 106.91 10.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.467 ' CG1' HG23 ' A' ' 78' ' ' VAL . 4.5 t -106.65 128.29 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.99 154.32 23.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CE2' HG13 ' A' ' 78' ' ' VAL . 29.2 m-85 -78.77 150.38 75.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 78' ' ' VAL . 22.7 pt -125.22 160.36 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.508 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 69.7 t80 -120.17 128.75 53.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.5 t -108.7 117.66 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.74 178.33 18.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.465 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 1.4 t-20 52.35 73.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.25 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 mt -117.0 159.83 39.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.08 27.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -29.44 8.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -104.79 49.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 9.6 tp -96.86 156.6 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -131.62 143.16 50.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.463 ' CG2' ' CG2' ' A' ' 52' ' ' ILE . 2.3 m -55.26 -42.33 73.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -63.35 -54.2 40.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.09 -42.11 37.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.432 HD12 ' CG1' ' A' ' 34' ' ' ILE . 45.8 mt -69.61 -27.52 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 3.3 tt0 -73.18 -65.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -42.53 -49.54 5.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -43.5 -65.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 27.4 m-85 -65.09 -31.67 72.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -53.46 -18.92 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.556 ' HD2' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -56.17 -18.82 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.556 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 45.4 m-85 -96.77 -55.36 2.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.62 -136.84 2.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.27 147.56 46.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.0 mt -96.76 145.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -30.03 21.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.1 t70 177.63 160.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.463 ' CG2' ' CG2' ' A' ' 36' ' ' THR . 35.7 mt -134.44 136.39 52.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.11 101.06 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.472 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -95.72 118.26 32.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' CB ' ' CE2' ' A' ' 63' ' ' PHE . 11.5 mmtt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 126.58 10.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.476 ' CE2' ' CB ' ' A' ' 55' ' ' LYS . 17.4 p90 -119.93 154.88 33.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -158.77 158.26 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 51.0 m-85 -112.62 149.86 32.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.34 129.92 74.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -109.75 101.94 10.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.558 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -74.53 161.76 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -79.5 -17.64 53.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -141.51 154.25 66.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ARG . 18.4 Cg_endo -74.96 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PRO . 71.6 mtt180 -38.2 -58.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -59.51 -59.1 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -42.55 -34.19 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 3.8 mt-10 -78.08 -55.24 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.11 -19.79 14.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.33 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.56 HG12 ' CZ ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -43.25 -34.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 75' ' ' GLU . 17.0 m-85 -77.68 -44.73 27.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.59 -73.47 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.553 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 6.0 mmp_? -39.18 -41.99 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.351 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.81 96.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 104.39 32.5 4.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' ARG . 72.0 t80 -77.52 164.42 25.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.784 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -122.74 99.95 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.484 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 24.2 t80 -97.82 93.22 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.8 t0 53.05 37.69 25.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.74 -39.23 2.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -68.24 105.95 2.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -73.04 133.11 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 36.0 mt -101.52 147.68 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.8 97.65 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.3 t -95.75 132.4 40.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -160.21 151.56 19.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.56 ' CZ ' HG12 ' A' ' 78' ' ' VAL . 6.2 m-85 -70.38 150.32 95.77 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -166.72 164.41 16.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.35 162.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.3 164.22 12.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -164.36 163.1 22.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.756 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.09 138.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.31 -171.23 13.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.78 129.37 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.46 160.73 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.43 -149.28 19.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.59 135.31 3.3 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.94 -155.73 17.88 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m 41.93 56.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.7 tt -46.29 -47.27 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 mtt180 -144.61 135.11 24.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.47 162.35 31.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.62 11.64 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.1 154.1 45.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.61 -108.43 1.24 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -172.2 113.05 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 109.363 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -177.02 167.93 2.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -119.75 -172.45 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.5 m 59.87 31.79 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -110.2 127.83 55.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.553 HD12 ' CE2' ' A' ' 43' ' ' PHE . 11.3 pt -126.42 136.88 59.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 41.7 t80 -97.92 131.55 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -111.6 125.65 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.1 179.94 15.96 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 57.34 46.98 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.73 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.7 mt -100.24 160.05 28.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.06 35.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.01 10.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -102.84 45.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.7 tp -98.76 156.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -129.82 153.39 48.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.431 HG22 ' CG2' ' A' ' 52' ' ' ILE . 5.0 m -66.58 -22.97 66.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -72.8 -56.8 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.501 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 27.3 m-20 -47.11 -45.08 21.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.7 mt -66.64 -31.18 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 1.2 tt0 -69.08 -57.88 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.17 -14.41 37.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.7 t -77.83 -65.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 25' ' ' ILE . 47.1 m-85 -72.47 -13.07 61.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.48 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.2 t80 -63.89 -26.82 68.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -64.2 -19.41 65.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -98.59 27.14 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.51 -114.78 2.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -146.98 169.01 20.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 7.7 mt -120.7 145.84 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.82 -42.69 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -170.41 144.84 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.431 ' CG2' HG22 ' A' ' 36' ' ' THR . 11.0 mt -122.68 129.56 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.29 114.54 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.462 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -116.69 123.54 47.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 3.0 mptt -75.75 -75.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 65.05 91.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -177.12 165.58 2.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -39.89 128.48 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.5 67.58 0.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.91 -155.04 50.52 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 172.46 16.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.23 18.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.822 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.533 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 2.7 p90 -128.68 151.7 49.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -156.49 158.89 38.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -116.04 136.7 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 t -111.43 123.39 67.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.86 109.13 20.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 8.9 m-85 -82.88 169.34 16.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -81.43 -36.1 29.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -126.33 151.2 72.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -49.08 -33.66 12.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.76 -50.08 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -45.65 -33.73 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 41.9 mt-10 -80.99 -44.1 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.06 -31.55 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.31 -63.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.465 HG12 ' CE2' ' A' ' 95' ' ' PHE . 0.6 OUTLIER -55.45 -33.77 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.444 ' CD1' ' O ' ' A' ' 75' ' ' GLU . 2.4 m-30 -58.09 -18.08 22.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.8 -64.87 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' CZ ' HG12 ' A' ' 42' ' ' VAL . 33.8 mmt180 -40.07 -31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 16.8 t0 -62.97 93.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.5 20.85 6.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -82.71 153.53 25.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.06 113.01 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -121.46 128.58 52.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 61.99 21.01 12.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.94 -16.34 57.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.93 137.34 32.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.59 143.07 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.5 mt -112.96 148.0 35.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -121.29 99.57 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.442 HG12 ' CG2' ' A' ' 78' ' ' VAL . 3.5 t -96.98 126.81 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.03 153.77 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.465 ' CE2' HG12 ' A' ' 78' ' ' VAL . 31.0 m-85 -76.02 150.3 83.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.19 36.32 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -58.78 147.76 32.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.0 -53.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.68 -166.94 20.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -94.71 165.35 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.22 84.17 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.3 m -141.44 96.44 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.368 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -104.43 173.61 21.35 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.68 169.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.06 171.16 14.76 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.566 1.824 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.91 -57.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.037 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t 62.17 92.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 p -160.69 -58.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 0.809 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -146.2 151.6 37.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.032 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.98 159.32 27.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -155.63 115.98 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.44 152.63 34.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.028 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.67 140.93 8.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -165.78 134.12 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -102.62 152.0 21.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.939 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.35 148.48 5.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.26 135.46 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.22 142.1 4.14 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 p -122.94 143.62 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.2 tt -76.2 159.35 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 4.4 ptp180 -47.77 164.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.6 157.35 29.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.25 4.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.49 173.2 6.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.38 172.52 44.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.35 108.62 10.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 53.66 173.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 6.4 m-20 -115.81 107.54 15.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 62.8 m -96.55 -16.69 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -104.06 114.23 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.624 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 38.5 pt -102.7 147.1 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.8 t80 -111.02 129.0 56.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.74 133.32 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.88 178.48 18.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 61.43 31.48 19.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.02 159.94 69.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.54 29.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.804 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -28.27 9.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -106.67 50.12 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.514 HD12 ' CZ ' ' A' ' 86' ' ' TYR . 9.0 tp -96.4 156.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -130.87 137.34 49.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.468 HG22 ' CG2' ' A' ' 52' ' ' ILE . 4.3 m -49.66 -47.48 50.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -55.09 -56.26 21.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -49.88 -38.75 36.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 mt -73.07 -26.74 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.1 tt0 -73.38 -67.62 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 8.6 t70 -42.06 -41.1 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t -46.9 -65.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.624 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 46.2 m-85 -70.67 -31.71 68.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.54 -18.88 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -63.23 -13.58 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -100.13 -57.12 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.05 -128.92 1.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.33 162.43 21.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 33.5 mt -114.91 141.09 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -42.6 13.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.7 152.17 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 11.6 mt -127.72 115.95 41.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.82 110.57 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -114.42 124.37 51.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -71.49 -79.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 53.62 101.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.54 -46.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -176.13 158.99 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.37 93.29 1.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.46 -154.08 17.24 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.55 14.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 126.14 9.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 10.6 p90 -125.06 154.25 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . . . -152.5 161.53 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -117.69 108.89 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.5 126.62 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -99.3 142.88 30.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -117.82 148.83 41.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.98 -38.66 91.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.86 156.55 65.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.05 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 -39.03 -56.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.16 -52.01 64.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -43.46 -30.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.01 -63.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -40.74 -33.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -69.35 -66.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.525 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -52.41 -33.36 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.411 ' N ' HG12 ' A' ' 78' ' ' VAL . 2.2 m-30 -65.99 -14.98 62.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.92 -68.3 0.27 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 6.1 mmp_? -38.86 -32.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 2.8 t70 -57.83 99.86 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.16 40.43 3.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -91.08 150.51 21.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -96.75 101.44 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.514 ' CZ ' HD12 ' A' ' 34' ' ' ILE . 26.4 t80 -103.99 106.71 17.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t0 53.71 28.18 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.96 -36.9 3.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -64.58 151.77 43.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -105.0 130.06 53.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.1 mt -103.56 153.48 20.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -124.45 100.2 6.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 78' ' ' VAL . 4.3 t -97.76 123.08 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.98 151.78 20.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 22' ' ' ASP . 59.3 m-85 -74.54 148.43 85.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.91 160.86 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 p -168.55 160.19 10.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.17 61.06 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -174.21 132.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 0.786 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.19 -149.04 18.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.444 1.09 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.5 m 62.69 127.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 110.404 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 170.79 -105.56 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.088 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.24 161.94 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 150.45 77.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.28 133.06 45.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.5 p -119.12 -58.52 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.82 173.28 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 0.733 . . . . 0.0 110.038 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t 62.36 158.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.55 -129.78 3.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.33 -60.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.25 167.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.81 124.76 0.76 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtm -158.47 152.98 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 p -177.02 164.9 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.45 152.47 5.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.0 162.73 15.44 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.34 -156.02 26.33 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.47 106.52 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 pt -112.46 17.66 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -169.0 171.6 8.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.3 157.23 22.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.67 8.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.64 168.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.88 114.7 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -143.32 163.35 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -80.06 148.05 31.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -154.75 116.33 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.4 m -121.39 32.17 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 8.0 ptp180 -114.44 121.13 42.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.2 pt -108.18 160.29 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -121.35 137.43 54.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.4 t -118.01 127.85 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.0 -175.21 14.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.425 1.078 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 90' ' ' ARG . 8.0 t-20 59.08 17.21 5.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mt -65.68 158.86 72.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.475 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.99 166.85 28.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -28.13 9.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -107.06 50.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.5 tp -97.23 156.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -130.83 143.26 50.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.508 ' CG2' ' CG2' ' A' ' 52' ' ' ILE . 1.9 m -53.59 -44.1 69.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -62.48 -52.9 61.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.497 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 65.7 m-20 -50.02 -41.8 48.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.5 mt -70.07 -26.57 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.8 tt0 -74.18 -64.3 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -51.55 -22.18 3.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.7 t -67.0 -52.76 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -82.33 -21.35 36.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -58.99 -14.82 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -13.79 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -99.8 -60.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.35 -128.12 1.81 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.76 164.76 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.9 mt -116.83 145.05 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -36.07 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -175.35 157.01 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.508 ' CG2' ' CG2' ' A' ' 36' ' ' THR . 34.4 mt -131.05 129.47 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.34 111.3 18.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 3.2 tp -113.52 127.33 56.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 2.7 mmmt -105.66 98.88 8.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -99.54 90.4 4.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.82 96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 168.09 173.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.36 71.95 0.45 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.83 -158.68 25.78 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 147.47 34.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.78 23.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 35.9 p90 -127.82 156.55 42.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -159.58 166.55 30.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -118.98 144.18 46.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.35 122.08 68.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.14 115.05 29.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.527 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 6.2 m-85 -90.78 161.79 15.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -78.24 -43.44 28.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.04 150.83 44.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.96 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -48.14 -47.76 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.85 -57.56 3.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.43 -33.63 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -80.86 -67.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -40.33 -32.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.15 -62.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.445 ' CG2' HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -55.16 -32.44 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.416 ' N ' HG13 ' A' ' 78' ' ' VAL . 1.4 m-85 -73.41 -11.56 60.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -108.52 -76.49 0.94 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.569 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 30.4 mmt180 -38.74 -37.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.9 OUTLIER -43.41 98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 97.87 38.54 4.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 43.4 t80 -85.02 170.24 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.735 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 2.9 t70 -122.97 99.65 6.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -99.11 96.34 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.3 t0 55.7 32.21 18.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.41 -35.12 5.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.475 ' CG ' ' HB3' ' A' ' 31' ' ' PRO . 98.6 m-85 -70.47 108.32 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -73.58 127.68 33.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.0 mt -96.49 151.47 19.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -121.73 97.84 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.445 HG12 ' CG2' ' A' ' 78' ' ' VAL . 2.7 t -95.96 126.43 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -159.9 148.37 17.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.427 ' CE2' HG12 ' A' ' 78' ' ' VAL . 16.5 m-85 -70.08 150.19 96.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -168.32 153.83 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.9 t -166.25 162.72 17.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -120.19 127.83 7.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.16 128.24 17.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.39 160.44 8.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.1 p -133.32 163.74 28.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.457 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -107.53 177.21 21.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.0 p -146.22 153.24 40.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.977 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.45 97.29 0.54 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.436 1.085 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.14 174.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.01 165.99 26.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -172.54 124.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.62 121.95 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.54 166.0 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.46 137.19 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.011 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -88.44 158.03 18.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.59 110.52 0.46 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -121.08 -55.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.759 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.14 95.95 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.91 146.2 10.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.29 168.84 1.03 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.85 126.73 2.19 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.1 t 50.4 87.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.0 tt -59.75 -52.2 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 mtp180 -139.79 157.96 44.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.1 157.27 27.32 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 117.25 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 148.36 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.43 -125.87 5.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -128.85 128.58 44.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 66.16 97.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -70.48 87.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 71' ' ' PRO . 30.6 m -105.39 31.24 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.294 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -111.25 138.48 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.564 HG23 ' CE1' ' A' ' 95' ' ' PHE . 12.0 pt -132.46 136.28 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 57.1 t80 -94.97 130.5 41.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 67.3 t -111.51 124.46 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.3 177.49 16.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 34.6 m-20 56.11 62.92 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -113.0 160.39 31.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 162.19 37.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.37 10.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.14 32.2 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.1 tp -86.5 156.46 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -128.47 159.21 36.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.473 HG22 ' CG2' ' A' ' 52' ' ' ILE . 2.2 m -72.1 -33.74 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' GLU . 1.4 tptt -73.88 -51.9 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -47.89 -44.81 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.3 mt -66.79 -29.14 45.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.1 tt0 -72.97 -51.36 18.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.29 -21.5 59.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.464 HG12 ' CZ ' ' A' ' 81' ' ' ARG . 39.3 t -70.02 -66.01 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 51.3 m-85 -66.2 -31.33 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.455 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -50.67 -25.58 4.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -57.05 -18.31 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 62.3 m-85 -99.31 -57.83 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.36 -138.55 3.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.75 151.03 47.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.6 mt -99.8 148.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -29.72 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 178.35 144.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.473 ' CG2' HG22 ' A' ' 36' ' ' THR . 11.8 mt -122.76 124.58 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.45 111.67 23.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.473 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 1.7 tp -110.92 123.94 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mttt -88.54 -67.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 49.56 88.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.48 -57.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -52.06 144.41 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -39.79 130.84 2.49 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.04 -167.06 12.21 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.506 1.793 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.98 10.33 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 11.7 p90 -121.51 154.15 37.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -158.95 157.23 30.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 6.5 m-85 -114.49 138.25 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -110.9 131.09 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -107.11 102.77 12.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 9.2 m-85 -76.88 164.47 25.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -79.03 -42.44 26.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.07 153.75 57.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 18.3 Cg_endo -75.05 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -44.64 -45.1 9.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.64 -47.18 19.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -50.13 -27.24 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -89.59 -48.44 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -53.92 -31.24 49.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.88 -63.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -57.03 -32.85 41.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -59.93 -13.93 13.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.93 -68.94 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.529 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 26.6 mmt180 -38.69 -38.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 17.1 t0 -54.15 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 114.13 25.75 4.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -89.28 163.69 15.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -127.5 108.69 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -113.32 134.4 54.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 111.039 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t0 59.01 20.99 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.14 -17.42 53.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.45 134.68 33.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.79 143.88 34.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 7.8 mt -117.98 158.91 24.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.05 102.17 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.445 ' CG1' HG23 ' A' ' 78' ' ' VAL . 5.8 t -97.56 123.81 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.06 155.19 24.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 25' ' ' ILE . 67.3 m-85 -77.31 148.33 77.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 71.6 4.92 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 62.13 170.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.326 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.6 m -149.55 112.69 4.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -38.91 146.23 0.17 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.23 143.21 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -171.9 66.89 0.13 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t -130.35 131.69 45.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 0.811 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.35 -90.2 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.31 166.58 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 0.736 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.97 -148.04 18.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.095 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 91.09 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.6 t -50.32 146.12 5.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.74 148.29 22.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.19 119.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.757 . . . . 0.0 109.962 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.68 169.06 10.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.934 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.78 158.78 24.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 p -166.07 174.96 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -140.03 155.69 46.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.03 -124.07 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 ttp 57.41 90.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.45 -56.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.08 -155.11 21.3 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.437 1.086 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.04 145.81 15.24 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.2 159.21 8.95 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.5 p 40.69 64.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.29 16.19 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.69 179.65 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.84 156.58 25.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.38 7.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.12 122.67 18.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.04 -146.15 12.91 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.53 108.15 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 0.731 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 178.11 156.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 23' ' ' CYS . 1.7 m-20 59.77 155.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 1.8 p 164.62 -33.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -86.9 129.32 34.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.526 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 19.2 pt -124.92 140.47 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 56.6 t80 -100.7 126.23 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.0 t -111.44 116.33 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.67 -179.16 19.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 8.6 m-20 52.54 64.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 mt -112.11 158.55 36.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.69 32.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.09 11.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -104.78 47.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.6 tp -100.76 156.29 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -131.64 157.32 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -66.96 -40.13 87.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' GLU . 6.3 mttm -61.52 -58.66 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.495 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 69.0 m-20 -45.83 -46.82 15.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.7 -32.79 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 0.5 OUTLIER -68.99 -64.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 7.0 t0 -51.22 -30.17 16.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.6 t -57.39 -64.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.526 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 28.7 m-85 -66.74 -27.78 67.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -52.7 -19.53 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HG2' ' NH2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -61.46 -15.61 39.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -98.7 -57.98 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.72 -126.62 1.65 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.46 164.54 20.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 54.9 mt -118.71 138.19 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -52.25 5.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -159.32 156.74 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 59.5 mt -135.34 138.56 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -126.68 116.14 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -115.71 123.38 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -85.58 86.61 7.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -84.29 142.19 30.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.85 107.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -178.45 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.6 179.75 42.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.25 -155.2 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 154.81 42.78 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 133.33 16.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 18.3 p90 -130.07 154.83 47.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -155.36 167.16 31.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 13.4 m-85 -120.38 148.36 43.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 t -127.34 126.7 68.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.83 113.31 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.464 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 6.1 m-85 -84.81 161.65 19.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -74.43 -41.6 60.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.46 154.06 56.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.3 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -41.82 -45.16 3.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.1 -52.79 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.46 -37.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.22 -69.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' GLY . 7.8 m-20 -40.29 -33.97 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.5 -59.95 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.579 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.6 OUTLIER -56.38 -29.18 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.433 ' N ' HG12 ' A' ' 78' ' ' VAL . 3.4 m-85 -86.05 -29.16 23.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -82.73 -78.1 1.06 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.535 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 26.8 mmt180 -38.8 -40.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER -39.81 98.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 100.45 39.93 3.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 59.0 t80 -92.34 152.64 19.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 0.811 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.458 ' OD1' ' CA ' ' A' ' 88' ' ' GLY . 52.5 t0 -108.32 103.66 12.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -100.04 96.94 7.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 58.23 25.18 12.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.458 ' CA ' ' OD1' ' A' ' 85' ' ' ASP . . . 106.19 -28.0 15.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -76.48 109.04 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -75.2 124.17 26.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 17.5 mt -94.81 164.31 12.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -131.41 97.69 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.455 HG11 ' CG2' ' A' ' 78' ' ' VAL . 9.8 t -94.38 129.81 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -159.96 150.24 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.579 ' CE2' HG11 ' A' ' 78' ' ' VAL . 2.0 m-85 -72.05 150.12 92.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 123.95 8.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.03 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -177.51 95.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.02 125.74 11.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 113.22 -171.17 13.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.72 141.92 34.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 148.49 80.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.1 t -167.05 123.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -59.38 162.33 14.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.1 p -147.31 142.73 27.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 103.32 154.15 24.18 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 151.48 39.43 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.1 m 55.21 167.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.1 94.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -145.1 87.02 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.975 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -176.3 160.45 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.72 -121.22 2.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m 54.24 103.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.69 -64.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.72 118.29 1.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.84 144.52 29.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.1 p -133.8 154.27 51.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.72 171.51 40.93 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.118 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.05 120.1 1.49 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.0 150.49 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.9 m -148.08 169.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -150.58 -54.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -48.59 121.9 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.249 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.49 174.03 1.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.37 20.28 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.11 97.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.79 169.23 40.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -139.37 -52.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -105.79 156.09 18.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -87.38 147.09 25.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . 4.8 p 179.22 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.81 114.81 25.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.415 HG21 ' CE1' ' A' ' 95' ' ' PHE . 8.5 pt -118.88 141.58 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 79.8 t80 -97.19 126.39 42.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 30' ' ' LEU . 85.6 t -107.9 108.1 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.27 169.81 15.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.475 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 5.4 m-20 59.84 74.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD2' HD21 ' A' ' 91' ' ' LEU . 19.1 mt -125.54 161.66 49.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 160.35 40.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -25.17 12.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.15 25.34 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.4 tp -84.01 155.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -131.36 178.73 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -86.55 -32.36 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -49.52 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.506 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 86.4 m-20 -56.33 -49.02 75.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.74 -17.54 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -81.81 -66.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.317 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 76.6 m-20 -55.84 -25.08 40.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.2 t -61.24 -62.79 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 25.3 m-85 -67.93 -26.32 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -54.52 -18.23 4.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -61.12 -15.08 29.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.438 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 42.2 m-85 -99.32 -53.25 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.55 -129.57 1.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.43 160.78 26.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.3 mt -117.16 144.74 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -32.07 15.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -179.56 161.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 49.9 mt -136.28 116.72 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.46 107.07 17.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 1.2 tp -108.03 121.27 44.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 7.5 mmtt -74.27 -57.59 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 47.72 94.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ARG . 13.3 ttt180 -179.48 161.55 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ARG . 1.0 OUTLIER -38.79 139.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.86 52.68 0.23 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.74 -155.27 25.52 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.81 17.6 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.07 11.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 6.6 p90 -123.36 152.42 41.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -153.24 161.5 42.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 8.9 m-85 -120.64 112.49 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 t -90.06 136.99 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.14 117.46 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 14.6 m-85 -90.0 167.42 12.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.18 -40.31 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.82 154.62 48.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -45.91 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -43.25 -52.02 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -57.17 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.72 -37.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 77' ' ' ALA . 2.9 mt-10 -75.44 -70.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -40.78 -32.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -69.41 -59.88 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.571 HG12 ' CZ ' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -56.82 -30.97 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.423 ' N ' HG13 ' A' ' 78' ' ' VAL . 3.5 m-85 -85.8 -14.1 46.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -96.45 -81.19 1.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.464 ' CZ ' HG12 ' A' ' 42' ' ' VAL . 29.0 mmt180 -38.76 -32.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -47.23 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.92 23.31 6.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ARG . 8.4 t80 -78.89 138.93 38.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.52 100.55 10.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -118.83 128.35 54.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 t0 67.51 20.69 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.55 2.38 90.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -105.23 147.11 28.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.29 100.11 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 22.9 mt -69.11 158.2 35.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -127.94 111.7 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.474 HG12 ' CG2' ' A' ' 78' ' ' VAL . 45.5 t -106.63 127.96 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -160.11 155.98 26.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 78' ' ' VAL . 11.1 m-85 -72.12 148.17 91.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -171.83 128.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 t -109.82 151.06 27.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.43 141.46 9.58 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.24 160.67 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.62 98.45 0.14 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.6 m -148.27 83.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.757 . . . . 0.0 110.461 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -140.97 99.07 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.3 m -143.62 140.61 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -171.67 96.04 0.11 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 161.12 39.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.31 168.87 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.9 m 65.22 169.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.1 104.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 0.732 . . . . 0.0 110.034 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.36 115.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.77 159.99 16.46 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -112.1 148.55 33.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.28 135.14 11.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.64 175.56 14.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.65 99.96 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t -82.44 80.31 8.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.96 -90.88 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.52 157.85 8.7 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.17 117.87 1.22 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -86.8 123.95 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.5 tt -76.38 155.6 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -39.94 140.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.31 157.29 18.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -44.08 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.547 1.814 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 66.06 62.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.68 65.85 0.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.135 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -46.17 104.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 14.0 t30 -179.57 101.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.548 ' HB2' ' CD1' ' A' ' 95' ' ' PHE . 1.4 p30 157.02 101.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 61.8 m -98.0 -30.32 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.284 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.84 130.31 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.566 HD12 ' CE1' ' A' ' 43' ' ' PHE . 21.5 pt -116.52 141.17 35.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -102.12 132.93 47.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.3 135.46 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.28 173.71 20.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 58.42 57.02 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 91' ' ' LEU . 11.6 mt -104.44 160.96 24.31 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 164.58 33.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -25.42 11.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.38 51.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.7 tp -95.3 155.98 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.82 134.48 49.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.471 HG22 ' CG2' ' A' ' 52' ' ' ILE . 23.3 m -52.3 -34.72 48.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -69.56 -56.25 7.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -48.49 -36.61 15.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.5 mt -73.53 -32.35 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' LYS . 2.4 tt0 -64.49 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -41.25 -48.33 3.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -43.21 -66.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CE1' HD12 ' A' ' 25' ' ' ILE . 46.5 m-85 -66.35 -34.74 78.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.057 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -52.55 -19.5 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -15.64 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -99.51 -57.59 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.9 -127.3 1.4 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.04 162.45 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 58.5 mt -116.94 134.02 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -44.38 51.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -172.74 157.48 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.471 ' CG2' HG22 ' A' ' 36' ' ' THR . 27.4 mt -128.87 111.0 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.4 110.89 23.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 2.0 tp -113.0 125.15 54.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -72.68 -75.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.5 t30 67.91 100.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.39 167.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.71 127.19 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.47 52.74 0.05 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.59 -155.07 26.56 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.82 26.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.84 10.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 14.8 p90 -121.75 156.4 33.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -156.27 160.63 39.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -116.3 111.42 20.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.2 t -90.08 128.88 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -107.71 141.34 39.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 11.2 m-85 -114.03 160.01 19.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -75.8 -33.62 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -124.27 152.08 67.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.49 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.479 1.779 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -42.0 -63.03 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.5 OUTLIER -56.4 -53.96 51.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -42.09 -32.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' A' ' 79' ' ' TYR . 3.5 mt-10 -81.65 -43.0 19.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . 5.7 m-20 -62.57 -33.66 75.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -68.98 -56.06 8.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.545 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -62.9 -30.75 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 3.7 m-30 -67.01 -16.71 64.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -120.22 -68.35 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 6.3 mmp_? -38.31 -30.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.5 t70 -61.66 94.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.29 35.56 2.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -90.2 145.32 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.13 96.2 6.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -89.63 101.42 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 t70 54.15 35.41 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.92 -37.37 3.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -69.7 105.26 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 114.42 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 30' ' ' LEU . 41.2 mt -80.96 162.29 23.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.01 99.11 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.468 HG11 ' CG2' ' A' ' 78' ' ' VAL . 4.8 t -96.56 130.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.54 154.33 22.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CD1' ' HB2' ' A' ' 22' ' ' ASP . 21.0 m-85 -78.42 150.19 76.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 125.13 9.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.84 99.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.237 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -118.86 164.31 15.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.21 82.05 1.01 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.139 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 166.24 4.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -119.68 -108.8 2.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.3 p -66.85 139.58 57.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 110.414 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 165.28 113.68 0.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.65 133.56 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 162.52 78.06 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 156.79 42.8 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.4 p -167.57 157.44 10.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 36.5 p -176.35 146.82 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 m -169.2 155.48 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -177.6 170.22 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.16 131.13 1.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.77 158.81 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.43 166.08 16.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.25 152.04 23.66 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.65 86.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.29 146.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.78 -128.64 3.35 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.35 -173.55 41.78 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.49 82.8 0.3 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.0 m -89.68 157.65 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.5 pt 43.61 -157.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 62.3 -91.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.42 176.82 48.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 176.43 108.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.79 153.83 52.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.05 88.57 2.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 41.29 86.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.4 m-20 -114.94 100.76 8.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.434 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . 92.0 m -78.99 -25.76 43.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.17 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -88.6 122.09 31.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.534 HD12 ' CE2' ' A' ' 43' ' ' PHE . 4.1 pt -119.99 156.95 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -117.94 138.01 52.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.6 t -118.28 130.11 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.19 -175.68 14.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.62 56.08 8.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mt -103.92 159.79 28.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.56 28.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.66 11.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -107.52 48.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -96.4 155.74 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -129.27 160.18 33.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.417 HG23 ' CG2' ' A' ' 52' ' ' ILE . 86.3 m -76.08 -20.22 57.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.98 -51.61 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 3.9 m-20 -54.75 -39.14 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mt -73.96 -21.93 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.2 tt0 -76.46 -65.23 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.33 -34.86 49.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.3 t -50.67 -62.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CE2' HD12 ' A' ' 25' ' ' ILE . 31.1 m-85 -70.17 -32.97 71.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -47.38 -23.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.503 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -60.36 -17.25 42.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.503 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 55.4 m-85 -95.93 -54.92 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.51 -130.79 1.69 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -120.77 166.98 12.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 74.9 mt -120.76 152.35 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.06 -40.58 6.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -171.74 154.19 3.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 26.1 mt -129.34 122.54 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -106.49 110.43 22.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.47 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 2.1 tp -111.91 123.46 50.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 6.0 mmtt -81.25 -62.18 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 51.27 96.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 177.17 168.77 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -40.32 140.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.85 55.8 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.37 -155.28 30.89 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 171.9 17.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 125.79 9.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 17.3 p90 -120.88 157.7 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -156.6 160.22 39.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -118.53 120.95 39.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.64 137.0 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -111.34 109.3 19.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.442 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 3.2 m-85 -88.03 156.81 19.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -73.55 -38.77 65.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.98 151.87 58.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.7 mtt85 -39.42 -50.09 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -72.38 -52.96 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -43.95 -30.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 76' ' ' ASP . 3.4 mt-10 -82.5 -65.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' GLU . 74.4 m-20 -39.75 -37.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.2 -62.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.561 HG13 ' CZ ' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -52.77 -28.24 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.43 ' N ' HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -80.98 -32.45 34.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.47 -72.2 1.23 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 28.6 mmt180 -38.14 -42.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -40.02 99.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 98.82 40.51 3.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.601 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 30.9 t80 -83.75 170.7 13.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -128.35 94.48 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -91.64 95.49 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.94 37.75 25.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.79 -38.92 2.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -69.16 107.65 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -73.05 135.85 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.6 mt -103.59 161.71 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.7 97.39 4.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.426 HG11 ' CG2' ' A' ' 78' ' ' VAL . 2.7 t -96.4 127.54 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -160.09 176.9 11.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.561 ' CZ ' HG13 ' A' ' 78' ' ' VAL . 14.8 m-85 -99.04 149.94 36.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.03 43.1 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -142.18 146.97 35.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.2 p -122.45 156.39 34.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 100' ' ' ARG . . . -88.89 -174.38 46.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 5.6 mtp-105 53.75 104.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 110.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.68 119.84 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.6 t -141.36 116.5 9.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 110.431 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.06 -147.8 5.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 m 53.71 73.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.754 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -122.18 97.37 0.6 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 121.41 6.54 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.73 94.44 2.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.02 144.92 8.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.08 162.58 15.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.977 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -174.4 170.09 3.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.38 -169.3 12.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.133 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 p -173.18 170.37 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.64 164.69 13.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.68 -125.51 5.02 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtt 48.53 95.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 0.729 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.2 p -121.34 156.03 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.06 95.88 1.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.25 -111.43 0.26 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.23 74.63 0.21 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.51 12.59 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.1 pt -117.49 -174.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? 55.79 86.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.25 -172.98 25.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.37 -59.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.45 -161.4 12.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -172.79 100.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -88.82 119.43 29.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -146.84 101.0 3.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.79 -35.56 56.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 108.25 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.17 133.81 35.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.483 HG23 ' CE1' ' A' ' 95' ' ' PHE . 8.9 pt -129.02 147.91 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -107.58 130.59 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG11 ' CD1' ' A' ' 30' ' ' LEU . 39.2 t -106.4 124.16 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.6 174.5 15.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.491 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 40.6 m-20 48.19 81.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' CD1' HG11 ' A' ' 27' ' ' VAL . 22.8 mt -127.32 161.48 54.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.9 38.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.18 11.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.21 49.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.418 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.7 tp -98.88 155.89 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.38 147.85 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.423 ' CG2' ' HB ' ' A' ' 52' ' ' ILE . 89.8 m -64.86 -30.78 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.3 tptt -73.76 -53.24 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.498 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 76.9 m-20 -48.97 -41.59 34.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.418 HD11 ' CG1' ' A' ' 34' ' ' ILE . 20.5 mt -69.82 -28.21 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.8 tt0 -72.4 -50.12 28.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.69 -19.4 65.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 24.9 t -71.95 -65.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -67.94 -27.6 66.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -50.37 -24.99 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.506 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -58.95 -16.72 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.506 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 75.8 m-85 -99.56 -54.19 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.49 -144.34 3.89 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.06 149.21 42.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.5 mt -101.01 147.28 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -33.27 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -174.45 149.75 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.423 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 15.9 mt -129.02 116.92 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.57 112.1 24.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 2.1 tp -111.94 123.55 50.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.0 mttt -92.21 78.31 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -71.53 159.35 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.98 87.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.33 155.37 2.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.77 149.78 32.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.22 -164.14 54.25 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 160.36 40.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.97 11.14 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.512 1.796 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 23.9 p90 -122.3 157.18 32.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -157.17 161.94 39.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -119.01 119.53 34.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.7 t -99.07 136.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -113.89 124.84 53.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -101.29 154.93 18.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.92 -47.09 81.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.78 151.82 52.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.57 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -39.02 -65.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 74' ' ' ALA . 1.6 p30 -62.19 -43.69 98.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.448 ' N ' ' OD1' ' A' ' 73' ' ' ASP . . . -43.28 -39.69 3.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 8.8 mt-10 -77.56 -52.9 8.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -54.47 -24.08 18.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -87.09 -63.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG12 ' CZ ' ' A' ' 95' ' ' PHE . 1.3 p -48.14 -36.46 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 75' ' ' GLU . 14.3 m-30 -75.62 -36.33 60.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -67.79 -80.44 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.468 ' CZ ' HG13 ' A' ' 42' ' ' VAL . 26.0 mmt180 -38.93 -41.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -39.98 98.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 107.62 32.4 3.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -97.75 160.83 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.02 113.61 21.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -120.27 120.05 34.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.39 16.17 8.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.0 -1.31 77.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -98.55 147.44 24.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -91.56 110.82 22.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 12.4 mt -84.25 162.99 19.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -132.44 101.59 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 78' ' ' VAL . 84.2 t -96.3 128.53 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.24 166.67 29.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.486 ' CZ ' HG12 ' A' ' 78' ' ' VAL . 9.1 m-85 -81.92 147.83 59.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 102.28 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.67 -49.57 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 p -53.64 124.26 14.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 157.01 123.88 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.99 148.0 29.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -153.03 76.16 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.1 t -122.57 145.48 48.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.84 172.99 43.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.31 165.75 4.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 0.0 110.042 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -167.45 97.58 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.38 24.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.9 m -142.02 169.54 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 p -156.36 167.83 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.966 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 p -174.5 170.22 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.74 170.0 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.92 -136.94 5.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 p -179.3 120.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.34 163.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.48 106.19 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -175.3 147.36 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 p -150.28 -59.18 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.13 169.41 1.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.87 149.71 19.52 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.93 -122.23 5.02 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.6 t 52.37 84.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.0 pt -131.62 175.12 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 61.76 167.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.11 157.33 19.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 67.48 5.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.66 175.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.86 90.03 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -152.95 -54.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -153.23 139.06 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.541 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 5.8 m-20 -150.48 88.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 17.1 p -107.42 -24.11 11.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -91.89 120.67 32.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.459 HD13 ' CE2' ' A' ' 43' ' ' PHE . 3.7 pt -121.92 147.26 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -104.56 130.13 52.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.2 t -116.95 113.99 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.85 -177.1 18.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.21 49.97 10.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.7 mt -101.16 159.93 28.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 165.8 30.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.15 12.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -102.06 41.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -99.03 158.27 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -129.24 177.19 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.435 ' CG2' HG23 ' A' ' 52' ' ' ILE . 24.0 m -88.8 -23.21 22.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.11 -48.38 8.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -52.4 -37.5 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.33 -26.87 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.7 tt0 -71.52 -68.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 13.7 t70 -43.16 -34.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 t -59.71 -64.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CE2' HD13 ' A' ' 25' ' ' ILE . 20.1 m-85 -65.84 -25.4 67.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -57.65 -15.84 8.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HG2' ' NH2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.9 -16.88 64.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -97.98 -52.61 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.84 -143.73 3.78 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.06 145.4 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 43.9 mt -101.14 142.79 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -92.69 -33.65 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -176.3 160.45 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 34.1 mt -133.94 143.65 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.88 101.14 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.447 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -92.9 116.52 29.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 6.0 mmtt -75.82 -78.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 t30 64.9 103.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.5 167.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.7 138.57 41.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.4 49.12 0.17 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.64 -155.33 22.07 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.49 18.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 110.97 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.43 19.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.505 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 2.9 p90 -130.87 152.64 49.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.447 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -155.91 158.63 38.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -109.74 156.14 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.5 t -133.21 131.16 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.55 112.05 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 12.4 m-85 -86.56 155.52 20.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.67 -31.81 70.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.92 153.87 81.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -40.13 -46.38 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.23 -49.04 13.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -47.16 -33.2 4.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -79.54 -65.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -40.19 -36.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.32 -65.8 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.573 HG12 ' CZ ' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -52.45 -30.07 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.429 ' N ' HG13 ' A' ' 78' ' ' VAL . 2.2 m-85 -79.66 -25.13 41.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -93.4 -75.62 1.3 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 83' ' ' GLY . 67.0 mmt-85 -37.79 -39.42 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.769 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -45.87 95.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 102.87 33.3 4.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 81' ' ' ARG . 17.6 t80 -96.29 163.17 13.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -128.16 111.69 13.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -119.14 134.22 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t0 61.38 16.18 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.68 -14.98 64.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.66 140.85 29.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 0.799 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.27 139.49 34.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.12 159.45 17.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.54 99.21 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.465 HG12 ' CG2' ' A' ' 78' ' ' VAL . 5.9 t -97.76 129.7 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -159.95 155.77 26.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.573 ' CZ ' HG12 ' A' ' 78' ' ' VAL . 6.4 m-85 -75.6 150.4 84.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 167.13 27.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.36 151.87 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.43 -61.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.68 -165.47 35.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.1 115.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.44 104.58 0.25 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.09 137.33 5.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -156.58 84.12 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.42 157.81 44.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.76 83.95 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.99 28.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.99 165.16 37.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -160.57 162.2 32.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -173.94 136.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.962 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -165.48 169.4 15.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.01 -136.99 4.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 m 56.53 163.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.76 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -176.02 160.45 2.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.51 173.06 14.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.72 98.63 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.11 134.85 11.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.68 163.59 22.08 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.76 -107.18 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.9 60.45 1.68 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.3 t -86.89 127.04 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.4 tt -73.9 142.18 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -43.07 -43.34 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 58.75 -177.31 2.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.22 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.11 87.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.72 -95.91 0.89 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -166.11 97.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.75 119.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -125.12 97.5 5.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.6 m -125.93 28.14 6.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 108.302 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.11 127.55 55.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.557 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 10.3 pt -123.45 151.7 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 2.2 t80 -113.72 132.23 55.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.75 135.39 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.55 -178.57 15.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m120 58.27 33.02 22.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.7 mt -84.22 159.7 58.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.98 163.29 35.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.542 1.812 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -25.39 11.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.557 1.819 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.26 40.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.429 HG12 ' CD1' ' A' ' 39' ' ' ILE . 9.1 tp -89.07 156.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -131.01 142.46 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.8 m -55.23 -42.69 73.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -61.59 -58.08 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.498 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 20.6 m-20 -48.91 -41.87 35.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.429 ' CD1' HG12 ' A' ' 34' ' ' ILE . 95.3 mt -70.2 -28.44 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.1 tt0 -71.1 -63.29 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -49.79 -30.8 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 11.6 t -57.72 -66.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 30.6 m-85 -64.51 -23.08 67.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.28 -13.64 13.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.533 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.1 OUTLIER -64.34 -14.27 55.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.533 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 60.7 m-85 -102.88 -59.83 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.81 -129.73 1.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.87 163.07 20.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.767 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.5 147.2 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.2 -32.7 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -179.09 160.16 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 25.9 mt -135.06 112.93 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -100.63 110.85 23.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 64' ' ' ALA . 3.4 tp -110.22 123.16 49.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 12.4 mmtt -77.96 -63.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 41.74 87.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.61 77.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 57.1 162.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.56 64.24 1.33 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.5 -155.14 41.19 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.52 16.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 125.88 9.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 13.8 p90 -123.37 154.67 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.459 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . . . -151.14 164.09 37.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -119.06 112.53 19.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.7 t -91.53 137.74 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -117.77 118.44 32.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 6.9 m-85 -92.82 156.63 16.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.84 -47.38 69.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.52 155.54 43.63 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ARG . 18.2 Cg_endo -75.05 -48.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PRO . 73.5 mtt180 -38.5 -56.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.41 ' OD2' ' CE1' ' A' ' 68' ' ' PHE . 4.4 t70 -65.63 -49.46 68.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.459 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -45.16 -35.08 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mt-10 -80.27 -59.47 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -46.59 -25.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -79.82 -67.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.563 HG12 ' CZ ' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -46.7 -32.51 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 75' ' ' GLU . 11.5 m-30 -68.75 -52.19 33.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -75.86 -68.15 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.561 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 4.6 mmm180 -36.75 -39.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -54.57 90.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 108.96 37.34 2.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.423 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 82.8 t80 -91.87 168.29 11.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -124.31 111.99 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -105.67 96.23 6.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.57 28.92 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.34 -33.12 6.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 93.5 m-85 -70.47 109.34 4.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 127.31 32.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.467 ' CD1' ' NH2' ' A' ' 81' ' ' ARG . 22.6 mt -98.38 160.99 13.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -131.81 98.66 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.8 t -97.48 136.74 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.11 154.55 23.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CZ ' HG12 ' A' ' 78' ' ' VAL . 2.1 m-85 -76.67 150.36 81.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 123.7 8.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -115.96 116.53 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -98.9 -57.29 2.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 112.85 -136.51 13.52 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 57.19 86.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.282 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -123.85 98.51 0.59 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.1 t -67.93 114.09 6.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.18 84.04 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.67 118.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -117.6 157.22 15.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.88 11.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.25 155.33 40.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 66.71 156.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.31 79.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 110.025 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -149.65 99.55 2.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.143 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.08 93.18 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.32 141.85 51.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.89 150.75 31.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.67 131.7 2.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 mtm -107.02 166.41 10.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 t -178.53 169.84 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.14 -99.28 2.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.73 -139.34 5.77 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.36 146.15 14.26 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.75 126.2 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.9 tt -48.3 -42.81 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -145.84 140.48 27.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.18 156.05 18.02 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 117.01 4.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.527 1.803 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.67 74.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.61 -150.99 20.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 21' ' ' ASN . 63.0 t30 -106.69 122.43 46.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 20' ' ' ASN . 5.1 m-80 61.51 128.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.11 124.94 53.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 73.0 m -150.12 31.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.54 129.54 56.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.233 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.537 ' CG2' ' CE1' ' A' ' 95' ' ' PHE . 15.3 pt -108.3 154.45 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.46 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 9.3 t80 -110.5 126.25 54.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.65 134.97 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.76 176.73 18.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.2 m120 53.49 54.86 9.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' CD2' HD21 ' A' ' 91' ' ' LEU . 18.9 mt -100.55 159.49 29.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.43 ' HG3' ' CD1' ' A' ' 86' ' ' TYR . 18.2 Cg_endo -75.02 165.62 30.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.32 12.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -110.23 51.52 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 9.3 tp -96.93 156.29 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -130.39 142.81 50.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.436 HG23 ' CG2' ' A' ' 52' ' ' ILE . 90.9 m -58.06 -21.32 45.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.1 mttt -82.12 -61.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -44.3 -35.79 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.401 ' CD1' HG13 ' A' ' 34' ' ' ILE . 16.1 mt -76.17 -40.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 1.1 tt0 -60.26 -58.42 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -43.52 -51.89 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.6 t -43.01 -63.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 54.5 m-85 -65.49 -29.27 69.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' GLU . 4.4 t80 -57.55 -15.97 8.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -12.53 55.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -99.64 -58.57 1.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.19 -126.29 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.7 161.12 27.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.3 mt -110.89 139.74 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -86.39 -32.94 20.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.7 t0 179.33 155.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 10.6 mt -130.53 119.92 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -103.76 109.12 20.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 3.2 tp -110.53 124.05 51.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -79.44 -65.04 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 58.09 101.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.36 155.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.22 154.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.27 48.71 0.91 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.2 -160.64 21.44 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 168.96 23.67 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.788 . . . . 0.0 111.066 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.25 11.28 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 6.9 p90 -122.07 151.74 40.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -151.75 168.04 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 64.2 m-85 -122.47 118.64 28.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.4 t -98.42 127.23 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -108.42 143.18 37.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 62.2 m-85 -115.96 163.02 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -73.58 -25.54 60.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.52 158.43 72.01 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -45.26 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -44.48 -35.12 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -85.69 -41.97 14.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.484 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . . . -53.86 -35.32 61.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.88 -55.81 3.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -40.29 -34.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -69.66 -65.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.475 ' CG2' HG11 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.02 -32.04 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.423 ' N ' HG12 ' A' ' 78' ' ' VAL . 2.2 m-30 -68.91 -11.48 60.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.19 -69.9 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 6.0 mmp_? -38.53 -48.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 3.6 t0 -40.47 99.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 101.91 40.55 2.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -89.33 167.87 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.92 103.08 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 31' ' ' PRO . 45.9 t80 -98.32 93.74 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.4 t0 53.16 36.85 23.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.04 -38.33 3.19 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -69.43 108.91 3.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 138.9 46.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.409 HD21 ' CD2' ' A' ' 30' ' ' LEU . 55.4 mt -107.99 154.62 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -125.85 97.76 5.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.475 HG11 ' CG2' ' A' ' 78' ' ' VAL . 8.1 t -92.91 129.56 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.13 144.75 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.537 ' CE1' ' CG2' ' A' ' 25' ' ' ILE . 2.5 m-85 -69.54 150.28 96.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -103.05 -57.56 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.1 t 62.81 156.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . 119.33 -170.53 14.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.24 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 99' ' ' GLY . . . 118.0 163.6 12.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t -96.08 141.15 29.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.15 165.73 23.92 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.3 p -117.35 126.1 52.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 144.93 97.47 0.22 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.44 41.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.8 m -128.23 108.44 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 t -153.68 -59.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -175.99 151.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 0.724 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -163.95 166.69 21.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.92 130.24 2.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 p -171.29 141.55 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -131.98 142.5 49.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.15 72.29 0.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.8 mtm -152.04 133.77 14.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 p -133.58 149.54 51.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.48 112.39 0.36 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.85 153.56 24.29 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.4 -151.57 5.92 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -132.23 101.38 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 tt -70.27 -46.15 72.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -132.46 163.42 28.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -111.98 -168.07 18.05 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.86 15.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.1 94.74 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 109.236 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.13 173.42 17.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.957 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -118.89 93.44 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 t30 179.04 148.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -114.73 147.32 39.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . 15.9 p 177.21 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 108.339 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -83.73 130.09 34.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 13.1 pt -128.14 136.08 61.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -98.82 130.32 45.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.95 131.85 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.45 173.62 19.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 60.92 46.07 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.7 mt -94.64 159.56 33.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 165.42 31.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.21 11.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -105.5 47.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.3 tp -99.57 157.04 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 11.6 mmt180 -130.31 -179.69 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.46 HG22 ' CG2' ' A' ' 52' ' ' ILE . 2.6 m -88.03 -35.45 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.449 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -49.13 66.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 29.7 m-20 -56.9 -42.79 80.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 35' ' ' ARG . 67.5 mt -71.48 -19.3 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.8 tt0 -79.07 -64.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -51.65 -32.3 28.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.6 t -51.27 -62.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.688 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 41.8 m-85 -72.6 -38.72 67.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -44.35 -25.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD3' ' NH1' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -55.64 -19.17 9.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -95.14 -54.18 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.4 -130.19 1.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -120.81 158.47 27.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.7 mt -109.76 149.79 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -35.56 11.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -179.05 154.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 61.3 mt -133.18 119.56 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.68 110.29 22.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD1' ' HB1' ' A' ' 64' ' ' ALA . 4.6 tp -109.66 129.67 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.4 mttt -94.65 -77.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 59.16 167.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' ARG . 9.2 ttm180 75.77 126.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 57' ' ' ARG . 2.3 tmm_? 60.73 143.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 60' ' ' GLY . . . 84.91 -160.58 35.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -59.65 -146.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.97 13.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.2 8.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.781 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 18.3 p90 -123.33 155.29 37.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.465 ' HB1' ' CD1' ' A' ' 54' ' ' LEU . . . -148.45 157.94 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -119.48 108.24 14.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.455 ' CG1' HG12 ' A' ' 52' ' ' ILE . 3.6 t -93.16 139.03 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -119.81 134.52 55.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 10.0 m-85 -101.66 159.33 15.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.87 -26.91 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.71 159.83 67.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -41.95 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -39.16 -62.03 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' GLU . 0.7 OUTLIER -66.06 -48.17 71.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.63 -33.04 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 77' ' ' ALA . 2.2 mt-10 -82.62 -66.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -40.41 -30.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -74.33 -67.77 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.572 HG13 ' CZ ' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -47.19 -33.11 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.413 ' N ' HG11 ' A' ' 78' ' ' VAL . 6.8 m-85 -82.9 -30.69 28.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -81.48 -77.56 1.02 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NH2' ' CD2' ' A' ' 84' ' ' TYR . 24.3 mmm180 -39.29 -40.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -50.47 112.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.15 26.95 9.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.601 ' CD2' ' NH2' ' A' ' 81' ' ' ARG . 21.1 t80 -98.24 148.0 24.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.52 116.78 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 82.0 t80 -125.1 128.22 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 t0 59.74 22.74 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.87 -11.92 58.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.04 130.18 36.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.32 135.03 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.0 mt -106.79 163.49 12.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 97.82 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 78' ' ' VAL . 32.1 t -94.46 127.29 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -160.01 151.15 19.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.572 ' CZ ' HG13 ' A' ' 78' ' ' VAL . 10.2 m-85 -65.69 148.52 98.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 61.84 5.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.88 86.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.9 p -111.81 -68.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.26 141.64 2.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.22 169.21 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -97.9 -150.94 26.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.6 m -121.7 -62.92 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.29 126.26 4.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.37 123.71 23.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.49 90.82 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.9 p -128.84 159.35 36.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.6 80.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -165.87 -58.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.67 164.83 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.35 -176.78 47.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -132.59 169.74 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.767 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.32 170.31 8.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.06 119.61 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 8' ' ' MET . 3.5 ptt? -137.76 92.0 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 m -99.1 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.973 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.31 154.95 3.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.39 -166.57 27.2 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.63 166.37 16.23 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 13' ' ' VAL . 6.7 p -93.1 113.28 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 tt -77.76 155.34 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 61.38 145.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.46 162.07 33.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.817 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.36 162.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.73 98.59 0.82 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m120 56.71 93.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.237 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -140.78 139.38 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' CYS . 4.5 m-20 -173.86 167.71 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 3.9 m 82.34 -55.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 108.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -84.7 115.73 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.6 pt -117.41 153.81 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.534 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 13.2 t80 -110.73 129.43 55.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.3 t -113.69 127.19 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.88 -174.5 13.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.421 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 8.5 m-20 52.87 52.68 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.3 mt -98.66 159.16 31.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -74.94 167.17 27.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.19 7.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -103.99 48.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.59 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 8.5 tp -96.0 155.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -130.86 136.97 49.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.474 ' CG2' HG23 ' A' ' 52' ' ' ILE . 1.2 m -51.77 -34.7 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -72.33 -52.53 15.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -51.59 -38.07 52.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.4 mt -73.52 -25.4 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -73.76 -68.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 12.8 t70 -40.95 -29.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 HG11 ' CZ ' ' A' ' 81' ' ' ARG . 2.5 t -60.42 -65.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -72.12 -19.26 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -57.68 -16.22 10.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -73.77 -13.22 60.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.563 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 59.4 m-85 -104.21 27.22 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.64 -119.13 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.61 159.61 41.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 58.2 mt -114.05 135.23 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -73.09 -49.9 25.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -170.75 161.01 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 HG23 ' CG2' ' A' ' 36' ' ' THR . 61.8 mt -132.6 134.67 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.67 102.01 9.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.47 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -89.37 113.56 24.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' CB ' ' CE2' ' A' ' 63' ' ' PHE . 1.1 mptt -78.41 -78.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 57' ' ' ARG . 3.0 p30 54.15 170.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 6.9 ttp180 83.88 65.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -174.01 163.5 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.17 87.37 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.2 -168.94 32.04 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.46 42.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 130.81 13.59 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE2' ' CB ' ' A' ' 55' ' ' LYS . 16.7 p90 -121.12 157.51 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -159.85 160.81 34.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 18.0 m-85 -116.46 127.99 55.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.6 t -102.31 132.62 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -105.89 96.49 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.412 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.7 m-85 -71.79 164.59 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -85.23 -41.36 15.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.97 147.54 42.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -47.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -39.56 -40.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -84.09 -47.12 11.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -45.09 -32.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 78' ' ' VAL . 5.2 mt-10 -77.17 -70.68 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -41.32 -34.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.69 -53.81 24.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.558 HG13 ' CZ ' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -65.5 -28.79 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.43 ' N ' HG11 ' A' ' 78' ' ' VAL . 2.5 m-85 -86.05 -13.87 46.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -100.48 -80.75 1.54 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.465 ' CZ ' HG11 ' A' ' 42' ' ' VAL . 30.7 mmt180 -38.26 -32.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 0.738 . . . . 0.0 110.309 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -44.75 106.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.56 39.81 7.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -88.23 158.32 18.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.38 97.06 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.59 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 28.2 t80 -100.69 100.56 11.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 t0 65.28 16.73 10.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.45 -21.89 27.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.56 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 75.5 m-85 -75.38 134.18 41.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.26 96.97 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 44.7 mt -66.19 160.85 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.73 98.34 4.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.466 HG13 ' CG2' ' A' ' 78' ' ' VAL . 2.4 t -99.16 130.68 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.99 152.86 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 110.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CZ ' HG13 ' A' ' 78' ' ' VAL . 6.0 m-85 -72.9 150.45 90.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 80.93 2.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 72.61 103.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.347 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.5 p -104.97 144.69 31.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.64 64.05 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.01 118.62 18.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.67 122.61 0.92 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.3 -50.2 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 0.751 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.02 175.91 20.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 89.6 p -164.14 145.97 8.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.952 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -127.41 96.97 0.45 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 152.58 40.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 81.6 p -107.65 166.49 10.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.8 m -117.35 170.54 8.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.46 135.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -122.04 101.76 7.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.31 110.32 0.32 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 p -142.49 -58.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m 65.77 157.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.03 100.09 0.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.42 93.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.3 p -79.57 160.02 26.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.96 -168.74 13.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.4 101.94 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.22 110.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.2 t 51.7 86.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 tt -75.17 162.89 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.0 97.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.09 171.12 44.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 68.04 5.84 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.33 150.48 28.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.08 152.24 46.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.22 158.43 17.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -104.2 119.55 39.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.85 177.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 m 77.77 -58.51 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -88.59 116.62 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 43' ' ' PHE . 5.9 pt -113.55 153.7 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -109.65 133.48 53.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.1 t -113.44 124.41 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.72 171.19 15.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.153 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.466 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 10.3 m-20 57.71 69.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD22 ' CD ' ' A' ' 31' ' ' PRO . 16.1 mt -116.39 161.73 30.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' CD ' HD22 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.04 161.46 38.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.18 11.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.47 40.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.3 tp -91.29 155.59 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -130.06 146.75 51.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.462 HG21 ' CG2' ' A' ' 52' ' ' ILE . 2.7 m -63.93 -17.12 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -85.0 -60.3 2.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.504 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 75.2 m-20 -46.4 -37.93 8.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mt -71.94 -36.41 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -59.06 -55.28 37.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 40' ' ' GLU . 75.0 m-20 -59.43 -44.32 92.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 32.1 t -43.24 -52.8 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.568 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 26.4 m-85 -77.33 -37.1 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -47.88 -22.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 42' ' ' VAL . 6.9 ptpp? -58.32 -17.02 16.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -98.64 -57.02 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.68 -130.21 1.71 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.82 160.67 25.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.0 mt -117.04 142.62 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -87.92 -38.13 15.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -174.16 158.54 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.462 ' CG2' HG21 ' A' ' 36' ' ' THR . 52.8 mt -132.34 134.97 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -121.91 115.73 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.457 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 1.6 tp -116.38 125.02 51.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.551 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 1.0 OUTLIER -77.53 -60.33 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 42.79 90.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 178.08 154.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.16 167.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -48.71 173.61 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.31 170.7 46.6 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.45 42.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 132.48 15.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.551 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 8.7 p90 -125.15 155.79 39.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -159.04 165.1 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -117.96 148.0 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.15 124.43 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.82 122.4 44.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.242 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.455 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 10.6 m-85 -101.47 156.31 17.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -72.94 -34.11 66.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -128.55 149.11 70.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -45.75 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -42.0 -45.46 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.07 -39.45 33.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -55.56 -26.61 44.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 77' ' ' ALA . 3.9 mt-10 -84.1 -61.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.39 -28.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -79.68 -69.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.572 HG11 ' CZ ' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -41.56 -33.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -70.51 -56.46 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.56 -63.52 3.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 5.4 mmm180 -38.76 -49.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.97 97.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 109.55 36.75 2.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -101.27 156.82 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 111.016 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -124.65 109.85 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -118.99 133.84 55.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 60.73 17.62 7.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.77 -12.34 67.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -91.69 145.08 24.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.91 143.1 28.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 8.2 mt -120.2 163.74 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -133.8 106.2 7.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.462 HG13 ' CG2' ' A' ' 78' ' ' VAL . 25.5 t -101.23 124.93 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -159.82 157.51 29.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.572 ' CZ ' HG11 ' A' ' 78' ' ' VAL . 26.1 m-85 -73.88 150.3 88.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.59 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -60.38 -56.81 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.77 91.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.74 139.63 6.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -168.59 141.75 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -108.92 172.35 16.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.9 m -111.25 -61.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -47.07 137.86 9.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 80.7 p -172.24 78.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -85.91 -167.44 43.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 96.21 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.5 m 58.9 169.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 t -61.27 -60.64 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.459 1.1 . . . . 0.0 111.016 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -172.12 95.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p -165.65 167.48 17.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.59 152.45 7.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.09 169.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.33 170.1 8.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.21 -164.18 26.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.3 mtm -138.29 127.16 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 0.804 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.99 169.38 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.91 -94.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.5 116.87 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.29 42.31 1.4 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.5 50.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.8 tt -53.27 -52.17 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 174.42 152.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.0 146.67 11.49 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.518 1.137 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -57.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.86 175.57 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.13 91.48 1.7 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.11 158.35 44.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 62.45 144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 61.42 108.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 83.4 m -122.99 30.01 6.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.278 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -121.85 122.11 38.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.438 HG22 ' CE1' ' A' ' 95' ' ' PHE . 23.5 pt -97.14 132.63 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.459 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 29.9 t80 -95.55 135.32 37.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -114.75 139.51 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.25 -175.98 14.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 56.3 27.25 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.257 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.2 mt -74.94 158.49 84.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 166.45 29.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.72 7.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -104.9 48.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 tp -94.36 155.32 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -128.86 144.09 51.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.467 HG22 ' CG2' ' A' ' 52' ' ' ILE . 12.2 m -56.98 -26.54 60.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -76.93 -56.62 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -47.91 -45.69 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.44 -28.31 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -73.8 -67.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.423 ' HA ' ' CB ' ' A' ' 44' ' ' TYR . 28.7 m-20 -44.27 -28.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.25 -61.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -78.33 -20.83 50.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 41' ' ' ASP . 12.1 t80 -56.67 -16.3 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HD3' ' NH2' ' A' ' 81' ' ' ARG . 13.7 ptmt -72.87 -17.05 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -95.84 -60.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -143.89 -146.79 4.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.64 144.5 43.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.4 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 56.4 mt -98.78 139.43 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -91.78 -31.81 15.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.6 155.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.467 ' CG2' HG22 ' A' ' 36' ' ' THR . 46.5 mt -131.2 106.83 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.96 109.19 20.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.459 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 2.2 tp -112.0 125.41 54.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 8.0 mttt -86.93 67.5 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.55 101.55 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 177.74 148.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 152.66 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.98 85.53 0.68 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.58 -154.82 38.04 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 160.52 39.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.29 9.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 12.7 p90 -122.54 155.43 36.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -156.82 167.27 30.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -124.38 111.96 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.7 t -90.65 132.46 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.26 138.23 45.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -110.33 146.85 35.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -60.26 -47.35 86.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -110.72 156.24 40.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -49.82 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -42.51 -55.12 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -51.46 68.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.94 -39.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 77' ' ' ALA . 6.0 mt-10 -76.32 -62.43 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 80' ' ' GLY . 79.2 m-20 -40.43 -30.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -75.06 -67.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.508 HG11 ' CZ ' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -46.61 -33.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.416 ' N ' HG12 ' A' ' 78' ' ' VAL . 8.6 m-85 -85.17 -32.71 22.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -66.46 -65.74 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.649 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 35.5 mmt180 -67.69 -97.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER 41.22 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.08 36.72 6.55 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.649 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 67.9 t80 -80.77 140.78 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -87.25 111.7 21.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -112.3 91.86 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 63.13 21.06 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.39 -23.59 26.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -79.68 117.35 20.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.985 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.75 137.49 39.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.1 mt -110.52 151.72 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.93 105.05 11.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 78' ' ' VAL . 3.5 t -103.68 120.21 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -159.92 147.55 16.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.508 ' CZ ' HG11 ' A' ' 78' ' ' VAL . 13.9 m-85 -66.96 147.89 98.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' SER . 18.3 Cg_endo -75.06 74.28 4.09 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 60.89 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 96' ' ' PRO . 5.7 m 73.14 87.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.13 133.73 7.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -81.68 -47.71 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.46 -101.6 1.33 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.3 m 39.46 82.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.423 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -135.63 -157.12 7.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 m -175.75 153.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.04 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.83 155.1 25.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 161.21 39.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -102.43 157.83 16.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.5 p -132.56 168.14 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -159.1 -59.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.013 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.12 169.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.44 131.66 1.31 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.47 140.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -170.01 168.61 8.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.19 145.69 4.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.84 144.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.89 159.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.21 145.27 4.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 130.87 171.44 12.91 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.03 135.34 12.78 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.0 t -118.69 85.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.1 tt -80.13 141.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.22 -27.89 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.9 166.59 4.48 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 74.96 3.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.39 170.28 8.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.67 -121.05 3.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -110.99 -57.93 2.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -156.73 137.35 13.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.237 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.542 ' HB2' ' CD1' ' A' ' 95' ' ' PHE . 1.6 m-20 -137.16 86.04 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 71.7 m -46.31 -32.07 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.34 120.82 31.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.566 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 31.7 pt -106.76 153.7 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 65' ' ' PHE . 63.3 t80 -114.57 131.19 56.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 111.066 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.5 t -110.26 126.13 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.18 -177.78 16.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.1 m120 50.29 59.53 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.414 HD21 ' CD2' ' A' ' 91' ' ' LEU . 29.1 mt -104.22 159.5 29.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 165.76 30.67 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.7 11.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -109.4 50.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.2 tp -96.87 156.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -129.23 140.94 51.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.464 ' CG2' ' HB ' ' A' ' 52' ' ' ILE . 46.6 m -58.12 -26.99 63.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -74.85 -55.15 6.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.495 ' O ' ' CG2' ' A' ' 42' ' ' VAL . 3.7 m-20 -50.54 -35.29 28.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.2 mt -75.34 -26.7 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.4 tt0 -71.28 -62.49 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.84 -36.33 58.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 38' ' ' ASP . 2.7 t -49.01 -53.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 34.7 m-85 -81.96 -40.89 21.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -38.48 -37.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.71 -30.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -83.6 -54.74 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.21 -130.92 1.73 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.92 164.69 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 39.4 mt -114.27 156.2 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -105.51 -26.72 11.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 t0 174.9 155.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.464 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 10.5 mt -130.96 121.83 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.09 109.79 21.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 1.8 tp -113.71 126.94 55.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.3 mttt -92.42 -75.01 0.5 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 4.5 t-20 77.55 -65.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.2 ttt85 -55.99 93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.68 -173.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.11 143.01 20.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.69 -163.84 31.19 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 168.05 25.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 18.3 Cg_endo -75.0 132.87 15.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 21.0 p90 -129.11 154.4 46.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -157.81 159.0 36.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 51.0 m-85 -114.13 137.73 51.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.4 122.93 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -94.8 137.79 33.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -112.37 148.19 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.9 -38.11 87.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.27 156.49 63.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -49.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -40.23 -61.63 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.34 -46.91 82.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.539 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -50.15 -28.44 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -88.8 -50.31 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -52.12 -30.46 26.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -76.32 -64.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.55 HG12 ' CZ ' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -51.63 -32.19 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -65.25 -18.96 65.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.31 -65.36 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.555 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 72.6 mmt-85 -39.13 -34.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 0.731 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 98.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.01 35.32 4.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.401 ' CG ' ' N ' ' A' ' 85' ' ' ASP . 66.6 t80 -84.53 165.88 17.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 25.7 t70 -116.92 95.03 4.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -90.5 95.49 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t70 56.43 30.79 17.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.68 -35.07 5.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.556 1.16 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -69.01 114.74 7.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -74.0 132.19 42.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.414 ' CD2' HD21 ' A' ' 30' ' ' LEU . 50.7 mt -107.08 148.32 28.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.29 97.6 5.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 78' ' ' VAL . 2.1 t -97.52 125.78 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -160.08 150.37 18.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.55 ' CZ ' HG12 ' A' ' 78' ' ' VAL . 32.8 m-85 -70.8 145.73 92.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 142.77 28.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -41.79 151.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -149.29 124.44 10.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -41.39 121.38 2.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.452 ' HD3' ' CG2' ' A' ' 102' ' ' THR . 9.4 ttm180 -112.18 113.93 26.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 0.784 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.13 -81.26 0.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.452 ' CG2' ' HD3' ' A' ' 100' ' ' ARG . 11.7 t 44.08 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 110.418 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 120.79 67.65 0.27 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.8 p -99.88 155.28 17.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.963 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.01 149.88 16.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.88 42.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.04 134.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m -118.68 158.94 24.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.88 92.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -42.01 108.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.96 -94.61 0.65 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -174.22 168.28 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.12 144.96 25.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.73 -155.72 31.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 53.1 86.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.51 149.6 39.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.18 104.14 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -104.5 -116.34 4.2 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.97 167.8 25.02 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 2.5 p -158.89 59.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 pt -62.37 175.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 62.59 117.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.253 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.21 179.84 48.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.55 29.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.28 155.6 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.32 163.16 15.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -107.97 92.2 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -171.28 93.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -151.65 130.74 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.4 m -109.13 34.56 3.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -123.79 118.91 28.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.562 HD11 ' CE1' ' A' ' 43' ' ' PHE . 6.9 pt -113.62 128.83 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -88.86 131.49 35.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.0 t -109.89 131.7 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.33 179.61 16.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 6.7 m-80 54.47 58.05 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.4 mt -108.83 158.91 32.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.68 30.73 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.447 1.761 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -28.34 9.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -104.82 47.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.6 tp -96.56 155.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -128.42 148.65 50.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.44 ' CG2' ' HB ' ' A' ' 52' ' ' ILE . 59.5 m -64.33 -19.76 65.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -80.96 -57.28 3.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.24 -38.49 18.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.8 mt -72.22 -33.22 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 37' ' ' LYS . 1.7 tt0 -63.18 -65.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 2.7 t70 -40.24 -49.36 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.7 t -43.25 -66.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' A' ' 25' ' ' ILE . 50.8 m-85 -66.84 -50.91 61.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -42.58 -27.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.542 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -53.09 -20.89 4.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.542 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 70.2 m-85 -96.33 -54.37 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.47 -140.57 3.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.58 148.87 43.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.2 mt -103.21 146.25 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -28.25 17.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 t70 177.86 154.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.44 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 35.2 mt -128.55 122.53 57.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.19 112.9 26.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 1.8 tp -113.94 123.79 50.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 11.4 mttt -94.48 96.95 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -95.54 143.37 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.33 101.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.97 -63.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.24 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 169.07 176.59 39.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 39.84 -154.97 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.33 41.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.37 11.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 22.8 p90 -123.71 156.54 35.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -157.54 162.34 38.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -117.66 146.11 43.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.15 129.86 73.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -107.52 110.23 22.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.25 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -87.73 156.76 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -73.35 -17.98 61.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.1 151.11 40.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.86 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -48.37 -45.33 35.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.5 m-20 -74.84 -55.13 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.33 -38.05 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -74.21 -48.16 30.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 73' ' ' ASP . 31.9 m-20 -51.03 -32.29 21.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.25 -63.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.449 HG12 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -52.04 -31.93 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.412 ' N ' HG13 ' A' ' 78' ' ' VAL . 3.1 m-30 -66.57 -11.63 53.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -125.27 -67.11 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.616 ' N ' ' HE ' ' A' ' 81' ' ' ARG . 1.2 mmp_? -40.01 -29.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' GLY . 2.5 t0 -65.46 102.28 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.58 32.32 5.18 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -90.5 144.96 25.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.47 94.56 5.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -88.32 100.1 12.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t70 60.78 26.54 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.09 -29.8 11.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -73.71 109.53 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.11 104.18 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 62.7 mt -70.55 167.88 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -139.26 99.47 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.9 t -99.79 126.78 53.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -159.87 147.8 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.449 ' CE2' HG12 ' A' ' 78' ' ' VAL . 40.3 m-85 -68.73 150.19 97.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 76.44 3.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.88 123.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.31 97.5 3.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.48 144.94 22.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -97.5 103.29 15.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.49 73.58 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.9 t -112.12 -25.8 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.24 175.61 46.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.1 m -132.04 149.63 52.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.03 162.15 18.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -48.13 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 92.4 p -166.6 159.94 14.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.998 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.8 t -160.56 98.51 1.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 111.048 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.63 110.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.84 165.53 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.46 62.04 0.22 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.15 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t 64.02 164.62 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -88.3 -56.74 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.045 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.58 128.92 5.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.55 159.1 43.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.44 160.68 43.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.71 166.87 36.9 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.92 -164.13 34.59 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.08 -127.23 2.02 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -91.85 50.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.1 pt -99.08 29.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -128.06 152.51 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.91 -145.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 177.43 8.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.11 162.43 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.19 171.66 52.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 172.77 -59.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -117.6 145.29 44.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 54.1 m-20 -117.09 100.1 7.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 67.9 m -108.32 -18.61 13.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 108.321 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -102.84 135.24 44.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.518 HD12 ' CE2' ' A' ' 43' ' ' PHE . 21.4 pt -126.19 156.66 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -112.81 131.32 55.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 t -116.3 125.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.72 -176.38 14.46 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 60.64 28.33 18.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.462 ' CD2' HD23 ' A' ' 91' ' ' LEU . 7.1 mt -78.23 158.52 76.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 167.65 26.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -29.79 7.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -104.36 49.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.3 tp -98.07 156.49 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.09 152.79 48.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.461 HG22 ' CG2' ' A' ' 52' ' ' ILE . 95.9 m -65.26 -22.89 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -80.85 -54.03 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -49.25 -39.36 30.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mt -71.66 -28.74 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LYS . 2.6 tt0 -70.86 -68.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -42.57 -41.2 2.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -50.03 -65.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 27.8 m-85 -66.52 -38.42 87.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -45.63 -24.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -19.51 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -95.17 -55.45 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.06 -130.21 1.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.48 162.82 24.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 0.781 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.432 HG22 ' CG1' ' A' ' 52' ' ' ILE . 31.8 mt -115.27 145.68 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.08 -40.05 11.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -169.42 152.8 4.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.461 ' CG2' HG22 ' A' ' 36' ' ' THR . 32.1 mt -129.74 135.17 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -123.6 114.17 19.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.467 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -115.41 123.39 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 2.5 mptt -89.38 63.41 6.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -43.26 -71.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.1 ttp85 -55.87 103.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.47 167.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.52 -163.37 33.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.15 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.0 -155.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.72 42.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 126.21 9.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 111.034 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 17.5 p90 -119.01 155.22 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -157.96 163.16 38.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -117.19 149.61 40.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -125.38 127.65 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -109.28 121.5 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 m-85 -94.71 165.57 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -78.55 -35.08 46.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.39 158.99 56.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -47.74 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -43.23 -58.81 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -58.38 -47.18 84.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -51.42 -25.91 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.74 -55.5 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -51.46 -30.31 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.46 -62.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.57 HG13 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -58.59 -31.92 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.42 ' N ' HG11 ' A' ' 78' ' ' VAL . 2.5 m-30 -63.73 -11.57 27.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -121.72 -69.43 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.617 ' N ' ' HE ' ' A' ' 81' ' ' ARG . 1.4 mmp_? -39.6 -29.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 11.9 t0 -63.67 92.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.22 8.39 14.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -64.11 163.94 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -127.7 112.65 15.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -132.66 127.34 34.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.3 t0 67.09 18.69 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.78 7.5 85.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -107.36 135.76 48.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 91.33 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' ' 30' ' ' LEU . 8.7 mt -56.7 152.75 11.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.87 106.91 10.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.467 ' CG1' HG23 ' A' ' 78' ' ' VAL . 4.5 t -106.65 128.29 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.99 154.32 23.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CE2' HG13 ' A' ' 78' ' ' VAL . 29.2 m-85 -78.77 150.38 75.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 93.18 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -104.64 123.03 46.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.234 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -56.86 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.983 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.92 -164.34 28.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -69.53 147.9 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -115.83 -81.2 0.9 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.5 m 57.9 71.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 110.414 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -111.04 126.18 7.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 p 178.86 158.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.024 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.19 -115.06 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 148.67 35.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.7 m -130.41 92.86 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.72 151.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -116.28 152.02 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -158.65 135.43 9.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.025 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.82 -74.12 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.94 140.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -84.77 120.04 25.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.74 90.64 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.89 155.27 1.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.12 139.94 4.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.98 -169.21 2.87 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.52 144.57 16.03 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.28 129.4 4.83 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 14' ' ' ILE . 2.5 p -150.08 132.15 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.425 ' CG1' ' O ' ' A' ' 13' ' ' VAL . 29.0 pt 46.94 -161.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -44.89 124.27 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.55 157.63 51.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 174.21 13.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.63 -58.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.06 76.26 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.12 -53.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -148.18 -55.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 62.65 99.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 71' ' ' PRO . 72.1 m -127.67 34.5 4.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -119.63 125.73 49.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 78' ' ' VAL . 22.7 pt -125.22 160.36 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.508 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 69.7 t80 -120.17 128.75 53.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.5 t -108.7 117.66 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.74 178.33 18.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.465 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 1.4 t-20 52.35 73.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.25 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.3 mt -117.0 159.83 39.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 167.08 27.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -29.44 8.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -104.79 49.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 9.6 tp -96.86 156.6 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -131.62 143.16 50.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.463 ' CG2' ' CG2' ' A' ' 52' ' ' ILE . 2.3 m -55.26 -42.33 73.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -63.35 -54.2 40.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.09 -42.11 37.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.432 HD12 ' CG1' ' A' ' 34' ' ' ILE . 45.8 mt -69.61 -27.52 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 3.3 tt0 -73.18 -65.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -42.53 -49.54 5.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -43.5 -65.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 27.4 m-85 -65.09 -31.67 72.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -53.46 -18.92 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.556 ' HD2' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -56.17 -18.82 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.556 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 45.4 m-85 -96.77 -55.36 2.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.62 -136.84 2.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.27 147.56 46.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.0 mt -96.76 145.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -30.03 21.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.1 t70 177.63 160.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.463 ' CG2' ' CG2' ' A' ' 36' ' ' THR . 35.7 mt -134.44 136.39 52.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.11 101.06 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.472 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -95.72 118.26 32.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' CB ' ' CE2' ' A' ' 63' ' ' PHE . 11.5 mmtt -83.14 -89.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 63.35 97.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.2 ttp85 178.94 70.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 60.58 156.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.52 47.36 2.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.77 -154.76 21.78 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 126.58 10.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.476 ' CE2' ' CB ' ' A' ' 55' ' ' LYS . 17.4 p90 -119.93 154.88 33.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -158.77 158.26 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 51.0 m-85 -112.62 149.86 32.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.34 129.92 74.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -109.75 101.94 10.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.558 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -74.53 161.76 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -79.5 -17.64 53.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -141.51 154.25 66.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 18.4 Cg_endo -74.96 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PRO . 71.6 mtt180 -38.2 -58.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -59.51 -59.1 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -42.55 -34.19 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 3.8 mt-10 -78.08 -55.24 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.11 -19.79 14.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.33 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.56 HG12 ' CZ ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -43.25 -34.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 75' ' ' GLU . 17.0 m-85 -77.68 -44.73 27.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.59 -73.47 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.553 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 6.0 mmp_? -39.18 -41.99 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.351 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.81 96.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 104.39 32.5 4.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' ARG . 72.0 t80 -77.52 164.42 25.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.784 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -122.74 99.95 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.484 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 24.2 t80 -97.82 93.22 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.8 t0 53.05 37.69 25.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.74 -39.23 2.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -68.24 105.95 2.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -73.04 133.11 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 29' ' ' ASN . 36.0 mt -101.52 147.68 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.8 97.65 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.3 t -95.75 132.4 40.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -160.21 151.56 19.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.56 ' CZ ' HG12 ' A' ' 78' ' ' VAL . 6.2 m-85 -70.38 150.32 95.77 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 68.46 5.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 60.02 87.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -62.47 1.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.86 122.99 4.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.3 114.73 23.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -110.02 175.33 18.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.2 t -137.79 125.29 22.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 172.44 113.56 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.098 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.05 168.25 12.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.964 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.17 73.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -54.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.31 168.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.6 t -137.2 -58.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.019 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 11.3 pt -126.42 136.88 59.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 41.7 t80 -97.92 131.55 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.496 HG12 HD11 ' A' ' 30' ' ' LEU . 59.8 t -111.6 125.65 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.1 179.94 15.96 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.611 ' O ' HD23 ' A' ' 91' ' ' LEU . 3.1 m-20 57.34 46.98 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.73 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.792 HD23 HD22 ' A' ' 91' ' ' LEU . 16.7 mt -100.24 160.05 28.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.537 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.05 163.06 35.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.01 10.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -102.84 45.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.537 HD13 ' HG2' ' A' ' 31' ' ' PRO . 8.7 tp -98.76 156.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -129.82 153.39 48.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 m -66.58 -22.97 66.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -72.8 -56.8 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.8 ' O ' HG23 ' A' ' 42' ' ' VAL . 27.3 m-20 -47.11 -45.08 21.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.7 mt -66.64 -31.18 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.519 ' HA ' HD13 ' A' ' 49' ' ' ILE . 1.2 tt0 -69.08 -57.88 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.17 -14.41 37.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.7 t -77.83 -65.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 47.1 m-85 -72.47 -13.07 61.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.48 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.2 t80 -63.89 -26.82 68.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -64.2 -19.41 65.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -98.59 27.14 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.51 -114.78 2.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -146.98 169.01 20.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 40' ' ' GLU . 7.7 mt -120.7 145.84 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.82 -42.69 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -170.41 144.84 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.512 ' CG1' HG21 ' A' ' 49' ' ' ILE . 11.0 mt -122.68 129.56 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -116.29 114.54 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.605 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -116.69 123.54 47.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 3.0 mptt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.23 18.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.822 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.533 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 2.7 p90 -128.68 151.7 49.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -156.49 158.89 38.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -116.04 136.7 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 t -111.43 123.39 67.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.86 109.13 20.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.59 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 8.9 m-85 -82.88 169.34 16.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -81.43 -36.1 29.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -126.33 151.2 72.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -49.08 -33.66 12.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.76 -50.08 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.59 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -45.65 -33.73 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 41.9 mt-10 -80.99 -44.1 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.06 -31.55 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.31 -63.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.955 HG23 ' CG1' ' A' ' 93' ' ' VAL . 0.6 OUTLIER -55.45 -33.77 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.444 ' CD1' ' O ' ' A' ' 75' ' ' GLU . 2.4 m-30 -58.09 -18.08 22.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.8 -64.87 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HB3' HG21 ' A' ' 93' ' ' VAL . 33.8 mmt180 -40.07 -31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 16.8 t0 -62.97 93.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.5 20.85 6.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.44 ' HD2' HD12 ' A' ' 91' ' ' LEU . 19.5 t80 -82.71 153.53 25.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.06 113.01 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -121.46 128.58 52.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 61.99 21.01 12.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.94 -16.34 57.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.93 137.34 32.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.59 143.07 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.792 HD22 HD23 ' A' ' 30' ' ' LEU . 38.5 mt -112.96 148.0 35.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -121.29 99.57 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.955 ' CG1' HG23 ' A' ' 78' ' ' VAL . 3.5 t -96.98 126.81 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.03 153.77 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -76.02 150.3 83.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.624 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 38.5 pt -102.7 147.1 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.8 t80 -111.02 129.0 56.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.74 133.32 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.88 178.48 18.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 61.43 31.48 19.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.891 HD23 HD22 ' A' ' 91' ' ' LEU . 17.2 mt -80.02 159.94 69.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.452 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.98 166.54 29.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.804 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -28.27 9.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -106.67 50.12 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 9.0 tp -96.4 156.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -130.87 137.34 49.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -49.66 -47.48 50.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -55.09 -56.26 21.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' VAL . 6.9 m-20 -49.88 -38.75 36.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 mt -73.07 -26.74 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 49' ' ' ILE . 2.1 tt0 -73.38 -67.62 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 8.6 t70 -42.06 -41.1 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 38' ' ' ASP . 3.2 t -46.9 -65.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.624 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 46.2 m-85 -70.67 -31.71 68.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.54 -18.88 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -63.23 -13.58 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -100.13 -57.12 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.05 -128.92 1.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.33 162.43 21.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.557 HD12 ' HG3' ' A' ' 40' ' ' GLU . 33.5 mt -114.91 141.09 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -42.6 13.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.7 152.17 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 11.6 mt -127.72 115.95 41.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -103.82 110.57 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -114.42 124.37 51.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 126.14 9.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 10.6 p90 -125.06 154.25 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.512 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -152.5 161.53 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -117.69 108.89 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.5 126.62 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -99.3 142.88 30.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -117.82 148.83 41.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.98 -38.66 91.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.86 156.55 65.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.05 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 -39.03 -56.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.16 -52.01 64.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -43.46 -30.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.01 -63.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -40.74 -33.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HB1' ' CD2' ' A' ' 43' ' ' PHE . . . -69.35 -66.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.982 HG23 HG12 ' A' ' 93' ' ' VAL . 0.7 OUTLIER -52.41 -33.36 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -65.99 -14.98 62.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.92 -68.3 0.27 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 6.1 mmp_? -38.86 -32.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 2.8 t70 -57.83 99.86 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.16 40.43 3.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -91.08 150.51 21.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -96.75 101.44 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.502 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 26.4 t80 -103.99 106.71 17.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t0 53.71 28.18 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.96 -36.9 3.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -64.58 151.77 43.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -105.0 130.06 53.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.891 HD22 HD23 ' A' ' 30' ' ' LEU . 20.1 mt -103.56 153.48 20.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -124.45 100.2 6.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.982 HG12 HG23 ' A' ' 78' ' ' VAL . 4.3 t -97.76 123.08 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.98 151.78 20.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CE2' HG11 ' A' ' 78' ' ' VAL . 59.3 m-85 -74.54 148.43 85.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 8.0 ptp180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.613 HG22 ' CE1' ' A' ' 95' ' ' PHE . 9.2 pt -108.18 160.29 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -121.35 137.43 54.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 93' ' ' VAL . 37.4 t -118.01 127.85 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.0 -175.21 14.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.425 1.078 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 90' ' ' ARG . 0.1 OUTLIER 59.08 17.21 5.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.7 HD22 HG12 ' A' ' 34' ' ' ILE . 10.4 mt -65.68 158.86 72.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.476 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.99 166.85 28.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -28.13 9.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -107.06 50.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.7 HG12 HD22 ' A' ' 30' ' ' LEU . 9.5 tp -97.23 156.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -130.83 143.26 50.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.508 ' CG2' ' CG2' ' A' ' 52' ' ' ILE . 1.9 m -53.59 -44.1 69.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -62.48 -52.9 61.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.809 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.7 m-20 -50.02 -41.8 48.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.5 mt -70.07 -26.57 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.8 tt0 -74.18 -64.3 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -51.55 -22.18 3.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.7 t -67.0 -52.76 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE2' HD11 ' A' ' 25' ' ' ILE . 27.8 m-85 -82.33 -21.35 36.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -58.99 -14.82 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -13.79 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -99.8 -60.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.35 -128.12 1.81 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.76 164.76 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.429 HG21 HG13 ' A' ' 52' ' ' ILE . 17.9 mt -116.83 145.05 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -36.07 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -175.35 157.01 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.508 ' CG2' ' CG2' ' A' ' 36' ' ' THR . 34.4 mt -131.05 129.47 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -118.34 111.3 18.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 3.2 tp -113.52 127.33 56.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.7 mmmt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.3 Cg_endo -75.01 138.78 23.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 55' ' ' LYS . 35.9 p90 -127.82 156.55 42.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.479 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -159.58 166.55 30.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -118.98 144.18 46.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.35 122.08 68.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.14 115.05 29.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.737 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 6.2 m-85 -90.78 161.79 15.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -78.24 -43.44 28.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.04 150.83 44.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.96 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -48.14 -47.76 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.85 -57.56 3.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.737 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.43 -33.63 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -80.86 -67.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -40.33 -32.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.15 -62.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.046 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -55.16 -32.44 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -73.41 -11.56 60.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -108.52 -76.49 0.94 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.569 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 30.4 mmt180 -38.74 -37.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.9 OUTLIER -43.41 98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 97.87 38.54 4.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 43.4 t80 -85.02 170.24 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.735 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 2.9 t70 -122.97 99.65 6.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -99.11 96.34 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.3 t0 55.7 32.21 18.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.41 -35.12 5.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.476 ' CG ' ' HB3' ' A' ' 31' ' ' PRO . 98.6 m-85 -70.47 108.32 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -73.58 127.68 33.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.555 HD22 HD23 ' A' ' 30' ' ' LEU . 12.0 mt -96.49 151.47 19.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -121.73 97.84 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.046 HG12 HG23 ' A' ' 78' ' ' VAL . 2.7 t -95.96 126.43 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -159.9 148.37 17.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.613 ' CE1' HG22 ' A' ' 25' ' ' ILE . 16.5 m-85 -70.08 150.19 96.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.785 HG22 ' CE1' ' A' ' 95' ' ' PHE . 12.0 pt -132.46 136.28 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 57.1 t80 -94.97 130.5 41.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.427 HG22 HG13 ' A' ' 93' ' ' VAL . 67.3 t -111.51 124.46 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.3 177.49 16.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.843 ' O ' HD23 ' A' ' 91' ' ' LEU . 34.6 m-20 56.11 62.92 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.056 HD23 HD22 ' A' ' 91' ' ' LEU . 20.0 mt -113.0 160.39 31.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.494 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 162.19 37.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.37 10.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.14 32.2 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.494 HD13 ' HG2' ' A' ' 31' ' ' PRO . 9.1 tp -86.5 156.46 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -128.47 159.21 36.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m -72.1 -33.74 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' GLU . 1.4 tptt -73.88 -51.9 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.878 ' O ' HG23 ' A' ' 42' ' ' VAL . 62.4 m-20 -47.89 -44.81 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.3 mt -66.79 -29.14 45.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.1 tt0 -72.97 -51.36 18.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.29 -21.5 59.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 38' ' ' ASP . 39.3 t -70.02 -66.01 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 51.3 m-85 -66.2 -31.33 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.455 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -50.67 -25.58 4.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -57.05 -18.31 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 62.3 m-85 -99.31 -57.83 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.36 -138.55 3.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.75 151.03 47.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.621 HG21 HG13 ' A' ' 52' ' ' ILE . 3.6 mt -99.8 148.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -29.72 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 178.35 144.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.621 HG13 HG21 ' A' ' 49' ' ' ILE . 11.8 mt -122.76 124.58 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -109.45 111.67 23.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 1.7 tp -110.92 123.94 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mttt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.98 10.33 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 11.7 p90 -121.51 154.15 37.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -158.95 157.23 30.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 6.5 m-85 -114.49 138.25 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -110.9 131.09 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -107.11 102.77 12.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.551 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 9.2 m-85 -76.88 164.47 25.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -79.03 -42.44 26.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.07 153.75 57.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.05 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -44.64 -45.1 9.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.64 -47.18 19.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -50.13 -27.24 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -89.59 -48.44 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -53.92 -31.24 49.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.88 -63.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.97 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -57.03 -32.85 41.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -59.93 -13.93 13.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.93 -68.94 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.62 ' HB3' HG21 ' A' ' 93' ' ' VAL . 26.6 mmt180 -38.69 -38.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 17.1 t0 -54.15 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 114.13 25.75 4.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -89.28 163.69 15.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -127.5 108.69 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.419 ' HB3' HD11 ' A' ' 91' ' ' LEU . 89.3 t80 -113.32 134.4 54.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t0 59.01 20.99 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.14 -17.42 53.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.45 134.68 33.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.79 143.88 34.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.056 HD22 HD23 ' A' ' 30' ' ' LEU . 7.8 mt -117.98 158.91 24.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.05 102.17 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.97 HG12 HG23 ' A' ' 78' ' ' VAL . 5.8 t -97.56 123.81 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.06 155.19 24.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.785 ' CE1' HG22 ' A' ' 25' ' ' ILE . 67.3 m-85 -77.31 148.33 77.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.526 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 19.2 pt -124.92 140.47 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 56.6 t80 -100.7 126.23 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.0 t -111.44 116.33 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.67 -179.16 19.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.702 ' O ' HD23 ' A' ' 91' ' ' LEU . 8.6 m-20 52.54 64.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.008 HD23 HD22 ' A' ' 91' ' ' LEU . 14.6 mt -112.11 158.55 36.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.528 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.99 164.69 32.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.09 11.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -104.78 47.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 31' ' ' PRO . 8.6 tp -100.76 156.29 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -131.64 157.32 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -66.96 -40.13 87.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' GLU . 6.3 mttm -61.52 -58.66 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.82 ' O ' HG23 ' A' ' 42' ' ' VAL . 69.0 m-20 -45.83 -46.82 15.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.7 -32.79 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.534 ' HG3' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -68.99 -64.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 7.0 t0 -51.22 -30.17 16.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.6 t -57.39 -64.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.526 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 28.7 m-85 -66.74 -27.78 67.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -52.7 -19.53 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HG2' ' NH2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -61.46 -15.61 39.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -98.7 -57.98 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.72 -126.62 1.65 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.46 164.54 20.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.59 HG21 HD11 ' A' ' 52' ' ' ILE . 54.9 mt -118.71 138.19 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -52.25 5.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -159.32 156.74 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 49' ' ' ILE . 59.5 mt -135.34 138.56 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 5.4 t0 -126.68 116.14 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.513 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -115.71 123.38 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.3 Cg_endo -75.07 133.33 16.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 18.3 p90 -130.07 154.83 47.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.513 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -155.36 167.16 31.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 13.4 m-85 -120.38 148.36 43.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.534 HG13 HG12 ' A' ' 52' ' ' ILE . 6.1 t -127.34 126.7 68.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.83 113.31 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.546 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 6.1 m-85 -84.81 161.65 19.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -74.43 -41.6 60.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.46 154.06 56.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.98 -43.3 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -41.82 -45.16 3.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.1 -52.79 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.46 -37.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.0 mt-10 -75.22 -69.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' GLY . 7.8 m-20 -40.29 -33.97 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.5 -59.95 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.675 HG23 HG12 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -56.38 -29.18 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -86.05 -29.16 23.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -82.73 -78.1 1.06 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.535 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 26.8 mmt180 -38.8 -40.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER -39.81 98.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 100.45 39.93 3.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 59.0 t80 -92.34 152.64 19.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 0.811 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.458 ' OD1' ' CA ' ' A' ' 88' ' ' GLY . 52.5 t0 -108.32 103.66 12.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -100.04 96.94 7.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 58.23 25.18 12.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.458 ' CA ' ' OD1' ' A' ' 85' ' ' ASP . . . 106.19 -28.0 15.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -76.48 109.04 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -75.2 124.17 26.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.008 HD22 HD23 ' A' ' 30' ' ' LEU . 17.5 mt -94.81 164.31 12.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -131.41 97.69 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.675 HG12 HG23 ' A' ' 78' ' ' VAL . 9.8 t -94.38 129.81 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -159.96 150.24 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CE2' HG11 ' A' ' 78' ' ' VAL . 2.0 m-85 -72.05 150.12 92.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.03 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.68 HG22 ' CE1' ' A' ' 95' ' ' PHE . 8.5 pt -118.88 141.58 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 79.8 t80 -97.19 126.39 42.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.533 HG12 HD11 ' A' ' 30' ' ' LEU . 85.6 t -107.9 108.1 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.27 169.81 15.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.512 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.4 m-20 59.84 74.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.96 HD23 HD22 ' A' ' 91' ' ' LEU . 19.1 mt -125.54 161.66 49.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.98 160.35 40.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -25.17 12.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.15 25.34 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.71 HG12 HD11 ' A' ' 39' ' ' ILE . 7.4 tp -84.01 155.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.2 mtt-85 -131.36 178.73 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -86.55 -32.36 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -49.52 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.671 ' O ' HG23 ' A' ' 42' ' ' VAL . 86.4 m-20 -56.33 -49.02 75.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.71 HD11 HG12 ' A' ' 34' ' ' ILE . 87.6 mt -66.74 -17.54 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -81.81 -66.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.317 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 76.6 m-20 -55.84 -25.08 40.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.2 t -61.24 -62.79 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.403 ' N ' HG12 ' A' ' 42' ' ' VAL . 25.3 m-85 -67.93 -26.32 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -54.52 -18.23 4.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -61.12 -15.08 29.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.438 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 42.2 m-85 -99.32 -53.25 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.55 -129.57 1.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.43 160.78 26.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.49 HD13 HD11 ' A' ' 52' ' ' ILE . 39.3 mt -117.16 144.74 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -32.07 15.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -179.56 161.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.572 HG12 HG13 ' A' ' 66' ' ' VAL . 49.9 mt -136.28 116.72 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -103.46 107.07 17.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.2 tp -108.03 121.27 44.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 7.5 mmtt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.07 11.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 6.6 p90 -123.36 152.42 41.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.577 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -153.24 161.5 42.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 8.9 m-85 -120.64 112.49 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.572 HG13 HG12 ' A' ' 52' ' ' ILE . 13.4 t -90.06 136.99 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.14 117.46 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.614 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 14.6 m-85 -90.0 167.42 12.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.18 -40.31 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.82 154.62 48.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -45.91 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -43.25 -52.02 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -57.17 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.614 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.72 -37.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 78' ' ' VAL . 2.9 mt-10 -75.44 -70.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -40.78 -32.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -69.41 -59.88 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.591 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -56.82 -30.97 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -85.8 -14.1 46.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -96.45 -81.19 1.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HB3' HG21 ' A' ' 93' ' ' VAL . 29.0 mmt180 -38.76 -32.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -47.23 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.92 23.31 6.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ARG . 8.4 t80 -78.89 138.93 38.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.52 100.55 10.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.569 ' HB3' HD11 ' A' ' 91' ' ' LEU . 38.5 t80 -118.83 128.35 54.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 t0 67.51 20.69 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.55 2.38 90.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -105.23 147.11 28.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.29 100.11 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.96 HD22 HD23 ' A' ' 30' ' ' LEU . 22.9 mt -69.11 158.2 35.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -127.94 111.7 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 78' ' ' VAL . 45.5 t -106.63 127.96 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -160.11 155.98 26.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.68 ' CE1' HG22 ' A' ' 25' ' ' ILE . 11.1 m-85 -72.12 148.17 91.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 110.975 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.497 ' CD1' ' CE1' ' A' ' 43' ' ' PHE . 21.5 pt -116.52 141.17 35.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -102.12 132.93 47.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.3 135.46 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.28 173.71 20.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.53 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.1 m-80 58.42 57.02 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.763 HD23 ' CD2' ' A' ' 91' ' ' LEU . 11.6 mt -104.44 160.96 24.31 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.445 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.03 164.58 33.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -25.42 11.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.38 51.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.566 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.7 tp -95.3 155.98 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.82 134.48 49.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.591 HG23 ' CG2' ' A' ' 52' ' ' ILE . 23.3 m -52.3 -34.72 48.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -69.56 -56.25 7.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.73 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.4 m-20 -48.49 -36.61 15.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.566 HD11 ' CG1' ' A' ' 34' ' ' ILE . 43.5 mt -73.53 -32.35 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' LYS . 2.4 tt0 -64.49 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -41.25 -48.33 3.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 38' ' ' ASP . 46.9 t -43.21 -66.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.622 ' HB2' HD11 ' A' ' 49' ' ' ILE . 46.5 m-85 -66.35 -34.74 78.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.057 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -52.55 -19.5 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -15.64 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -99.51 -57.59 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.9 -127.3 1.4 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.04 162.45 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.622 HD11 ' HB2' ' A' ' 43' ' ' PHE . 58.5 mt -116.94 134.02 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -44.38 51.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -172.74 157.48 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.591 ' CG2' HG23 ' A' ' 36' ' ' THR . 27.4 mt -128.87 111.0 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.5 m-20 -98.4 110.89 23.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' A' ' 64' ' ' ALA . 2.0 tp -113.0 125.15 54.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.84 10.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 14.8 p90 -121.75 156.4 33.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -156.27 160.63 39.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -116.3 111.42 20.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.2 t -90.08 128.88 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -107.71 141.34 39.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 11.2 m-85 -114.03 160.01 19.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -75.8 -33.62 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -124.27 152.08 67.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.49 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.479 1.779 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -42.0 -63.03 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.5 OUTLIER -56.4 -53.96 51.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -42.09 -32.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' A' ' 79' ' ' TYR . 3.5 mt-10 -81.65 -43.0 19.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . 5.7 m-20 -62.57 -33.66 75.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -68.98 -56.06 8.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.02 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -62.9 -30.75 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 3.7 m-30 -67.01 -16.71 64.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -120.22 -68.35 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 6.3 mmp_? -38.31 -30.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.5 t70 -61.66 94.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.29 35.56 2.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -90.2 145.32 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.13 96.2 6.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -89.63 101.42 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 t70 54.15 35.41 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.92 -37.37 3.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -69.7 105.26 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 114.42 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.763 ' CD2' HD23 ' A' ' 30' ' ' LEU . 41.2 mt -80.96 162.29 23.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.01 99.11 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.02 HG12 HG23 ' A' ' 78' ' ' VAL . 4.8 t -96.56 130.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.54 154.33 22.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.63 ' CE2' HG11 ' A' ' 78' ' ' VAL . 21.0 m-85 -78.42 150.19 76.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.617 HD11 ' CE2' ' A' ' 43' ' ' PHE . 4.1 pt -119.99 156.95 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -117.94 138.01 52.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.6 t -118.28 130.11 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.19 -175.68 14.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.571 ' O ' HD23 ' A' ' 91' ' ' LEU . 2.3 t-20 51.62 56.08 8.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.734 HD23 HD22 ' A' ' 91' ' ' LEU . 9.6 mt -103.92 159.79 28.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.511 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.0 166.56 28.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.66 11.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -107.52 48.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.616 HG12 HD22 ' A' ' 30' ' ' LEU . 8.2 tp -96.4 155.74 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -129.27 160.18 33.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.778 HG23 ' CG2' ' A' ' 52' ' ' ILE . 86.3 m -76.08 -20.22 57.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.98 -51.61 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.9 m-20 -54.75 -39.14 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.531 HD11 ' CG1' ' A' ' 34' ' ' ILE . 40.6 mt -73.96 -21.93 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.2 tt0 -76.46 -65.23 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.33 -34.86 49.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.3 t -50.67 -62.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 25' ' ' ILE . 31.1 m-85 -70.17 -32.97 71.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -47.38 -23.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.504 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -60.36 -17.25 42.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.504 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 55.4 m-85 -95.93 -54.92 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.51 -130.79 1.69 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -120.77 166.98 12.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.453 HD12 ' HG3' ' A' ' 40' ' ' GLU . 74.9 mt -120.76 152.35 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.06 -40.58 6.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -171.74 154.19 3.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.778 ' CG2' HG23 ' A' ' 36' ' ' THR . 26.1 mt -129.34 122.54 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.9 t70 -106.49 110.43 22.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.509 HD12 ' HB2' ' A' ' 64' ' ' ALA . 2.1 tp -111.91 123.46 50.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 6.0 mmtt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 125.79 9.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 17.3 p90 -120.88 157.7 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.509 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -156.6 160.22 39.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -118.53 120.95 39.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.64 137.0 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -111.34 109.3 19.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 3.2 m-85 -88.03 156.81 19.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -73.55 -38.77 65.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.98 151.87 58.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.96 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.7 mtt85 -39.42 -50.09 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -72.38 -52.96 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.539 ' O ' HG21 ' A' ' 25' ' ' ILE . . . -43.95 -30.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.4 mt-10 -82.5 -65.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' GLU . 74.4 m-20 -39.75 -37.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.2 -62.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.898 HG23 HG12 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -52.77 -28.24 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -80.98 -32.45 34.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.47 -72.2 1.23 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.725 ' HB3' HG21 ' A' ' 93' ' ' VAL . 28.6 mmt180 -38.14 -42.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -40.02 99.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 98.82 40.51 3.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.601 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 30.9 t80 -83.75 170.7 13.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -128.35 94.48 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -91.64 95.49 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.94 37.75 25.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.79 -38.92 2.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -69.16 107.65 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 7.4 mtm180 -73.05 135.85 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.734 HD22 HD23 ' A' ' 30' ' ' LEU . 41.6 mt -103.59 161.71 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.7 97.39 4.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.898 HG12 HG23 ' A' ' 78' ' ' VAL . 2.7 t -96.4 127.54 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -160.09 176.9 11.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.612 ' CE2' HG11 ' A' ' 78' ' ' VAL . 14.8 m-85 -99.04 149.94 36.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.82 HG22 ' CE1' ' A' ' 95' ' ' PHE . 8.9 pt -129.02 147.91 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -107.58 130.59 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -106.4 124.16 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.6 174.5 15.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.52 ' O ' HD23 ' A' ' 91' ' ' LEU . 40.6 m-20 48.19 81.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.912 HD23 HD22 ' A' ' 91' ' ' LEU . 22.8 mt -127.32 161.48 54.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.98 161.9 38.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.18 11.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.21 49.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.533 HD13 ' HG2' ' A' ' 31' ' ' PRO . 8.7 tp -98.88 155.89 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.38 147.85 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.735 HG23 ' CG2' ' A' ' 52' ' ' ILE . 89.8 m -64.86 -30.78 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.3 tptt -73.76 -53.24 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.947 ' O ' HG23 ' A' ' 42' ' ' VAL . 76.9 m-20 -48.97 -41.59 34.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.424 HD11 ' CG1' ' A' ' 34' ' ' ILE . 20.5 mt -69.82 -28.21 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.8 tt0 -72.4 -50.12 28.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.69 -19.4 65.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 38' ' ' ASP . 24.9 t -71.95 -65.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -67.94 -27.6 66.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -50.37 -24.99 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -58.95 -16.72 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.507 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 75.8 m-85 -99.56 -54.19 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.49 -144.34 3.89 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.06 149.21 42.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.571 HG21 HG13 ' A' ' 52' ' ' ILE . 4.5 mt -101.01 147.28 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -33.27 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -174.45 149.75 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.735 ' CG2' HG23 ' A' ' 36' ' ' THR . 15.9 mt -129.02 116.92 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -103.57 112.1 24.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 64' ' ' ALA . 2.1 tp -111.94 123.55 50.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.0 mttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.97 11.14 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.512 1.796 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 23.9 p90 -122.3 157.18 32.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.506 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.17 161.94 39.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -119.01 119.53 34.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.422 HG13 HG12 ' A' ' 52' ' ' ILE . 24.7 t -99.07 136.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -113.89 124.84 53.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -101.29 154.93 18.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.92 -47.09 81.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.78 151.82 52.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.97 -40.57 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -39.02 -65.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 74' ' ' ALA . 1.6 p30 -62.19 -43.69 98.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -43.28 -39.69 3.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 8.8 mt-10 -77.56 -52.9 8.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -54.47 -24.08 18.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -87.09 -63.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.565 ' CG2' HG12 ' A' ' 93' ' ' VAL . 1.3 p -48.14 -36.46 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 75' ' ' GLU . 14.3 m-30 -75.62 -36.33 60.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -67.79 -80.44 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 83' ' ' GLY . 26.0 mmt180 -38.93 -41.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -39.98 98.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 107.62 32.4 3.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -97.75 160.83 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.02 113.61 21.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.66 ' CB ' HD11 ' A' ' 91' ' ' LEU . 34.5 t80 -120.27 120.05 34.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.39 16.17 8.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.0 -1.31 77.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -98.55 147.44 24.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -91.56 110.82 22.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.912 HD22 HD23 ' A' ' 30' ' ' LEU . 12.4 mt -84.25 162.99 19.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -132.44 101.59 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.565 HG12 ' CG2' ' A' ' 78' ' ' VAL . 84.2 t -96.3 128.53 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.24 166.67 29.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.82 ' CE1' HG22 ' A' ' 25' ' ' ILE . 9.1 m-85 -81.92 147.83 59.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.487 HG22 ' CE1' ' A' ' 95' ' ' PHE . 3.7 pt -121.92 147.26 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -104.56 130.13 52.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.427 HG22 HG13 ' A' ' 93' ' ' VAL . 62.2 t -116.95 113.99 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.85 -177.1 18.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.721 ' O ' HD23 ' A' ' 91' ' ' LEU . 2.6 m120 58.21 49.97 10.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.819 HD23 HD22 ' A' ' 91' ' ' LEU . 15.7 mt -101.16 159.93 28.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.59 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.97 165.8 30.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.15 12.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -102.06 41.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.59 HD13 ' HG2' ' A' ' 31' ' ' PRO . 7.7 tp -99.03 158.27 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -129.24 177.19 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.521 HG23 ' CG2' ' A' ' 52' ' ' ILE . 24.0 m -88.8 -23.21 22.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.11 -48.38 8.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.557 ' O ' HG23 ' A' ' 42' ' ' VAL . 79.7 m-20 -52.4 -37.5 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.33 -26.87 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.572 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.7 tt0 -71.52 -68.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 13.7 t70 -43.16 -34.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 38' ' ' ASP . 3.0 t -59.71 -64.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 25' ' ' ILE . 20.1 m-85 -65.84 -25.4 67.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -57.65 -15.84 8.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HG2' ' NH2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.9 -16.88 64.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -97.98 -52.61 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.84 -143.73 3.78 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.06 145.4 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 43.9 mt -101.14 142.79 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -92.69 -33.65 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -176.3 160.45 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.572 HD11 ' HB2' ' A' ' 40' ' ' GLU . 34.1 mt -133.94 143.65 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -120.88 101.14 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -92.9 116.52 29.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 6.0 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.43 19.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.505 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 2.9 p90 -130.87 152.64 49.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -155.91 158.63 38.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 52' ' ' ILE . 80.2 m-85 -109.74 156.14 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.5 t -133.21 131.16 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.55 112.05 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.721 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 12.4 m-85 -86.56 155.52 20.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.67 -31.81 70.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.92 153.87 81.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.03 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -40.13 -46.38 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.23 -49.04 13.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.721 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -47.16 -33.2 4.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.4 mt-10 -79.54 -65.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -40.19 -36.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.32 -65.8 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.755 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.45 -30.07 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -79.66 -25.13 41.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -93.4 -75.62 1.3 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.879 ' HB3' HG21 ' A' ' 93' ' ' VAL . 67.0 mmt-85 -37.79 -39.42 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.769 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -45.87 95.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 102.87 33.3 4.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 81' ' ' ARG . 17.6 t80 -96.29 163.17 13.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -128.16 111.69 13.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.417 ' HB3' HD11 ' A' ' 91' ' ' LEU . 89.9 t80 -119.14 134.22 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t0 61.38 16.18 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.68 -14.98 64.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.66 140.85 29.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 0.799 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.27 139.49 34.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.819 HD22 HD23 ' A' ' 30' ' ' LEU . 12.5 mt -111.12 159.45 17.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.54 99.21 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.879 HG21 ' HB3' ' A' ' 81' ' ' ARG . 5.9 t -97.76 129.7 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -159.95 155.77 26.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.631 ' CE2' HG11 ' A' ' 78' ' ' VAL . 6.4 m-85 -75.6 150.4 84.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.557 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 10.3 pt -123.45 151.7 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 2.2 t80 -113.72 132.23 55.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.75 135.39 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.55 -178.57 15.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m120 58.27 33.02 22.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.087 HD23 HD22 ' A' ' 91' ' ' LEU . 31.7 mt -84.22 159.7 58.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.98 163.29 35.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.542 1.812 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -25.39 11.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.557 1.819 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.26 40.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.848 HG12 HD11 ' A' ' 39' ' ' ILE . 9.1 tp -89.07 156.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -131.01 142.46 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.469 HG23 ' CG2' ' A' ' 52' ' ' ILE . 3.8 m -55.23 -42.69 73.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -61.59 -58.08 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.898 ' O ' HG23 ' A' ' 42' ' ' VAL . 20.6 m-20 -48.91 -41.87 35.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.848 HD11 HG12 ' A' ' 34' ' ' ILE . 95.3 mt -70.2 -28.44 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.1 tt0 -71.1 -63.29 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -49.79 -30.8 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 38' ' ' ASP . 11.6 t -57.72 -66.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 30.6 m-85 -64.51 -23.08 67.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.28 -13.64 13.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.532 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.1 OUTLIER -64.34 -14.27 55.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.532 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 60.7 m-85 -102.88 -59.83 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.81 -129.73 1.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.87 163.07 20.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.767 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.419 HG21 HG13 ' A' ' 52' ' ' ILE . 12.5 mt -116.5 147.2 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.2 -32.7 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -179.09 160.16 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 36' ' ' THR . 25.9 mt -135.06 112.93 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.8 t0 -100.63 110.85 23.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 64' ' ' ALA . 3.4 tp -110.22 123.16 49.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 12.4 mmtt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.827 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 125.88 9.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 13.8 p90 -123.37 154.67 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.561 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -151.14 164.09 37.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -119.06 112.53 19.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.414 HG13 HG12 ' A' ' 52' ' ' ILE . 13.7 t -91.53 137.74 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -117.77 118.44 32.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.494 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 6.9 m-85 -92.82 156.63 16.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.84 -47.38 69.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.52 155.54 43.63 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ARG . 18.2 Cg_endo -75.05 -48.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PRO . 73.5 mtt180 -38.5 -56.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.41 ' OD2' ' CE1' ' A' ' 68' ' ' PHE . 4.4 t70 -65.63 -49.46 68.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -45.16 -35.08 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mt-10 -80.27 -59.47 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -46.59 -25.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -79.82 -67.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.727 HG23 HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -46.7 -32.51 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 75' ' ' GLU . 11.5 m-30 -68.75 -52.19 33.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -75.86 -68.15 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.847 ' HB3' HG21 ' A' ' 93' ' ' VAL . 4.6 mmm180 -36.75 -39.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -54.57 90.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 108.96 37.34 2.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.423 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 82.8 t80 -91.87 168.29 11.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -124.31 111.99 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -105.67 96.23 6.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.57 28.92 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.34 -33.12 6.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 93.5 m-85 -70.47 109.34 4.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 127.31 32.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.087 HD22 HD23 ' A' ' 30' ' ' LEU . 22.6 mt -98.38 160.99 13.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -131.81 98.66 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.847 HG21 ' HB3' ' A' ' 81' ' ' ARG . 2.8 t -97.48 136.74 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.11 154.55 23.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.553 ' CE2' HG11 ' A' ' 78' ' ' VAL . 2.1 m-85 -76.67 150.36 81.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.691 HG22 ' CD1' ' A' ' 95' ' ' PHE . 15.3 pt -108.3 154.45 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 9.3 t80 -110.5 126.25 54.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.65 134.97 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.76 176.73 18.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.2 m120 53.49 54.86 9.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.0 HD23 HD22 ' A' ' 91' ' ' LEU . 18.9 mt -100.55 159.49 29.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.02 165.62 30.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.32 12.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -110.23 51.52 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.717 ' CG1' HD11 ' A' ' 39' ' ' ILE . 9.3 tp -96.93 156.29 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -130.39 142.81 50.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.729 HG23 ' CG2' ' A' ' 52' ' ' ILE . 90.9 m -58.06 -21.32 45.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.1 mttt -82.12 -61.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 42' ' ' VAL . 54.0 m-20 -44.3 -35.79 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.717 HD11 ' CG1' ' A' ' 34' ' ' ILE . 16.1 mt -76.17 -40.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.573 ' HG3' HD12 ' A' ' 49' ' ' ILE . 1.1 tt0 -60.26 -58.42 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -43.52 -51.89 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 38' ' ' ASP . 25.6 t -43.01 -63.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 54.5 m-85 -65.49 -29.27 69.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' GLU . 4.4 t80 -57.55 -15.97 8.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -12.53 55.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -99.64 -58.57 1.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.19 -126.29 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.7 161.12 27.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.573 HD12 ' HG3' ' A' ' 40' ' ' GLU . 25.3 mt -110.89 139.74 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -86.39 -32.94 20.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.7 t0 179.33 155.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.729 ' CG2' HG23 ' A' ' 36' ' ' THR . 10.6 mt -130.53 119.92 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.9 t0 -103.76 109.12 20.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.576 HD12 ' HB2' ' A' ' 64' ' ' ALA . 3.2 tp -110.53 124.05 51.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.066 -0.398 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.25 11.28 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 6.9 p90 -122.07 151.74 40.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.576 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -151.75 168.04 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 64.2 m-85 -122.47 118.64 28.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.4 t -98.42 127.23 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -108.42 143.18 37.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 62.2 m-85 -115.96 163.02 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -73.58 -25.54 60.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.52 158.43 72.01 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.98 -45.26 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -44.48 -35.12 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -85.69 -41.97 14.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . . . -53.86 -35.32 61.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.88 -55.81 3.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -40.29 -34.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HB1' ' HD1' ' A' ' 43' ' ' PHE . . . -69.66 -65.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.061 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.02 -32.04 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -68.91 -11.48 60.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.19 -69.9 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 6.0 mmp_? -38.53 -48.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 3.6 t0 -40.47 99.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 101.91 40.55 2.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -89.33 167.87 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.92 103.08 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 31' ' ' PRO . 45.9 t80 -98.32 93.74 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.4 t0 53.16 36.85 23.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.04 -38.33 3.19 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -69.43 108.91 3.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 138.9 46.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.0 HD22 HD23 ' A' ' 30' ' ' LEU . 55.4 mt -107.99 154.62 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -125.85 97.76 5.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.061 HG12 HG23 ' A' ' 78' ' ' VAL . 8.1 t -92.91 129.56 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.13 144.75 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.691 ' CD1' HG22 ' A' ' 25' ' ' ILE . 2.5 m-85 -69.54 150.28 96.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 13.1 pt -128.14 136.08 61.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -98.82 130.32 45.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 93' ' ' VAL . 22.0 t -108.95 131.85 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.45 173.62 19.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.536 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.1 m120 60.92 46.07 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.937 HD23 HD22 ' A' ' 91' ' ' LEU . 15.7 mt -94.64 159.56 33.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.52 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.5 Cg_endo -75.0 165.42 31.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.21 11.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -105.5 47.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.524 HG12 HD22 ' A' ' 30' ' ' LEU . 9.3 tp -99.57 157.04 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.571 ' O ' HD12 ' A' ' 39' ' ' ILE . 11.6 mmt180 -130.31 -179.69 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 m -88.03 -35.45 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.449 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -49.13 66.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.771 ' O ' HG23 ' A' ' 42' ' ' VAL . 29.7 m-20 -56.9 -42.79 80.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 35' ' ' ARG . 67.5 mt -71.48 -19.3 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HG3' HD12 ' A' ' 49' ' ' ILE . 2.8 tt0 -79.07 -64.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -51.65 -32.3 28.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.6 t -51.27 -62.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.688 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 41.8 m-85 -72.6 -38.72 67.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -44.35 -25.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD3' ' NH1' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -55.64 -19.17 9.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -95.14 -54.18 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.4 -130.19 1.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -120.81 158.47 27.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.714 HD13 HD11 ' A' ' 52' ' ' ILE . 47.7 mt -109.76 149.79 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -35.56 11.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -179.05 154.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.9 HG12 HG13 ' A' ' 66' ' ' VAL . 61.3 mt -133.18 119.56 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -107.68 110.29 22.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 64' ' ' ALA . 4.6 tp -109.66 129.67 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.4 mttt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.2 8.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.781 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 18.3 p90 -123.33 155.29 37.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.788 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -148.45 157.94 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -119.48 108.24 14.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.9 HG13 HG12 ' A' ' 52' ' ' ILE . 3.6 t -93.16 139.03 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -119.81 134.52 55.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 10.0 m-85 -101.66 159.33 15.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.87 -26.91 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.71 159.83 67.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.97 -41.95 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -39.16 -62.03 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' GLU . 0.7 OUTLIER -66.06 -48.17 71.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -40.63 -33.04 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 77' ' ' ALA . 2.2 mt-10 -82.62 -66.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -40.41 -30.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 43' ' ' PHE . . . -74.33 -67.77 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.535 HG23 HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -47.19 -33.11 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -82.9 -30.69 28.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -81.48 -77.56 1.02 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NH2' ' CD2' ' A' ' 84' ' ' TYR . 24.3 mmm180 -39.29 -40.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -50.47 112.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.15 26.95 9.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.601 ' CD2' ' NH2' ' A' ' 81' ' ' ARG . 21.1 t80 -98.24 148.0 24.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.52 116.78 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 82.0 t80 -125.1 128.22 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 t0 59.74 22.74 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.87 -11.92 58.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.04 130.18 36.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.32 135.03 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.937 HD22 HD23 ' A' ' 30' ' ' LEU . 13.0 mt -106.79 163.49 12.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 97.82 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.535 HG12 HG23 ' A' ' 78' ' ' VAL . 32.1 t -94.46 127.29 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -160.01 151.15 19.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CE1' HG22 ' A' ' 25' ' ' ILE . 10.2 m-85 -65.69 148.52 98.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.471 HG22 ' CE1' ' A' ' 95' ' ' PHE . 4.6 pt -117.41 153.81 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.534 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 13.2 t80 -110.73 129.43 55.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.587 HG22 HG13 ' A' ' 93' ' ' VAL . 61.3 t -113.69 127.19 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.88 -174.5 13.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.573 ' O ' HD23 ' A' ' 91' ' ' LEU . 8.5 m-20 52.87 52.68 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.528 HD23 HD22 ' A' ' 91' ' ' LEU . 18.3 mt -98.66 159.16 31.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -74.94 167.17 27.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.19 7.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -103.99 48.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.621 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.5 tp -96.0 155.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -130.86 136.97 49.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -51.77 -34.7 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -72.33 -52.53 15.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.4 m-20 -51.59 -38.07 52.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.621 HD11 ' CG1' ' A' ' 34' ' ' ILE . 15.4 mt -73.52 -25.4 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -73.76 -68.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 12.8 t70 -40.95 -29.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.5 t -60.42 -65.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.62 ' HB2' HD11 ' A' ' 49' ' ' ILE . 54.4 m-85 -72.12 -19.26 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -57.68 -16.22 10.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -73.77 -13.22 60.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.563 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 59.4 m-85 -104.21 27.22 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.64 -119.13 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.61 159.61 41.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.62 HD11 ' HB2' ' A' ' 43' ' ' PHE . 58.2 mt -114.05 135.23 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -73.09 -49.9 25.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -170.75 161.01 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 HG13 ' A' ' 66' ' ' VAL . 61.8 mt -132.6 134.67 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.67 102.01 9.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -89.37 113.56 24.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' CB ' ' CE2' ' A' ' 63' ' ' PHE . 1.1 mptt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.411 ' O ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.03 130.81 13.59 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE2' ' CB ' ' A' ' 55' ' ' LYS . 16.7 p90 -121.12 157.51 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -159.85 160.81 34.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 18.0 m-85 -116.46 127.99 55.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.412 HG13 HG12 ' A' ' 52' ' ' ILE . 25.6 t -102.31 132.62 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -105.89 96.49 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.412 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.7 m-85 -71.79 164.59 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -85.23 -41.36 15.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.97 147.54 42.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.527 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.05 -47.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -39.56 -40.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -84.09 -47.12 11.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -45.09 -32.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 78' ' ' VAL . 5.2 mt-10 -77.17 -70.68 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -41.32 -34.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.69 -53.81 24.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.71 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -65.5 -28.79 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -86.05 -13.87 46.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -100.48 -80.75 1.54 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.472 ' CZ ' HG13 ' A' ' 42' ' ' VAL . 30.7 mmt180 -38.26 -32.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 0.738 . . . . 0.0 110.309 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -44.75 106.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.56 39.81 7.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -88.23 158.32 18.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.38 97.06 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.59 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 28.2 t80 -100.69 100.56 11.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 t0 65.28 16.73 10.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.45 -21.89 27.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.559 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 75.5 m-85 -75.38 134.18 41.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.26 96.97 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 29' ' ' ASN . 44.7 mt -66.19 160.85 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.73 98.34 4.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 78' ' ' VAL . 2.4 t -99.16 130.68 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.99 152.86 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 110.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.625 ' CE2' HG11 ' A' ' 78' ' ' VAL . 6.0 m-85 -72.9 150.45 90.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 43' ' ' PHE . 5.9 pt -113.55 153.7 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -109.65 133.48 53.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.1 t -113.44 124.41 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.72 171.19 15.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.153 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.823 ' O ' HD23 ' A' ' 91' ' ' LEU . 10.3 m-20 57.71 69.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.005 HD23 HD22 ' A' ' 91' ' ' LEU . 16.1 mt -116.39 161.73 30.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.04 161.46 38.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.18 11.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.47 40.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.707 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.3 tp -91.29 155.59 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -130.06 146.75 51.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 m -63.93 -17.12 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -85.0 -60.3 2.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.969 ' O ' HG23 ' A' ' 42' ' ' VAL . 75.2 m-20 -46.4 -37.93 8.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.707 HD11 ' CG1' ' A' ' 34' ' ' ILE . 34.5 mt -71.94 -36.41 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -59.06 -55.28 37.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.419 ' N ' ' HG2' ' A' ' 40' ' ' GLU . 75.0 m-20 -59.43 -44.32 92.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 38' ' ' ASP . 32.1 t -43.24 -52.8 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 25' ' ' ILE . 26.4 m-85 -77.33 -37.1 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -47.88 -22.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 42' ' ' VAL . 6.9 ptpp? -58.32 -17.02 16.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -98.64 -57.02 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.68 -130.21 1.71 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.82 160.67 25.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 43' ' ' PHE . 48.0 mt -117.04 142.62 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -87.92 -38.13 15.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -174.16 158.54 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.8 mt -132.34 134.97 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 82.9 m-20 -121.91 115.73 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.6 tp -116.38 125.02 51.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.551 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.5 Cg_endo -75.02 132.48 15.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.551 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 8.7 p90 -125.15 155.79 39.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.504 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -159.04 165.1 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -117.96 148.0 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.15 124.43 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.82 122.4 44.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.242 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 10.6 m-85 -101.47 156.31 17.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -72.94 -34.11 66.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -128.55 149.11 70.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.91 -45.75 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -42.0 -45.46 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.07 -39.45 33.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -55.56 -26.61 44.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 77' ' ' ALA . 3.9 mt-10 -84.1 -61.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.39 -28.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -79.68 -69.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.636 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -41.56 -33.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -70.51 -56.46 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.56 -63.52 3.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.93 ' HB3' HG21 ' A' ' 93' ' ' VAL . 5.4 mmm180 -38.76 -49.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.97 97.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 109.55 36.75 2.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -101.27 156.82 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 111.016 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -124.65 109.85 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.496 ' HB3' HD11 ' A' ' 91' ' ' LEU . 82.6 t80 -118.99 133.84 55.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 60.73 17.62 7.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.77 -12.34 67.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -91.69 145.08 24.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.91 143.1 28.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 1.005 HD22 HD23 ' A' ' 30' ' ' LEU . 8.2 mt -120.2 163.74 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -133.8 106.2 7.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.93 HG21 ' HB3' ' A' ' 81' ' ' ARG . 25.5 t -101.23 124.93 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -159.82 157.51 29.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.648 ' CE1' HG22 ' A' ' 25' ' ' ILE . 26.1 m-85 -73.88 150.3 88.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.57 HG21 ' HB ' ' A' ' 78' ' ' VAL . 23.5 pt -97.14 132.63 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.459 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 29.9 t80 -95.55 135.32 37.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -114.75 139.51 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.25 -175.98 14.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 56.3 27.25 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.257 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.972 HD23 HD22 ' A' ' 91' ' ' LEU . 27.2 mt -74.94 158.49 84.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.431 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.5 Cg_endo -74.95 166.45 29.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.72 7.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -104.9 48.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.668 ' CG1' HD11 ' A' ' 39' ' ' ILE . 7.9 tp -94.36 155.32 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -128.86 144.09 51.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.567 HG23 ' CG2' ' A' ' 52' ' ' ILE . 12.2 m -56.98 -26.54 60.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -76.93 -56.62 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.695 ' O ' HG23 ' A' ' 42' ' ' VAL . 39.5 m-20 -47.91 -45.69 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.668 HD11 ' CG1' ' A' ' 34' ' ' ILE . 10.7 mt -66.44 -28.31 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -73.8 -67.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.413 ' HA ' ' CB ' ' A' ' 44' ' ' TYR . 28.7 m-20 -44.27 -28.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.6 t -59.25 -61.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.448 ' HD1' ' HB1' ' A' ' 77' ' ' ALA . 56.6 m-85 -78.33 -20.83 50.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.413 ' CB ' ' HA ' ' A' ' 41' ' ' ASP . 12.1 t80 -56.67 -16.3 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HD3' ' NH2' ' A' ' 81' ' ' ARG . 13.7 ptmt -72.87 -17.05 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -95.84 -60.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -143.89 -146.79 4.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.64 144.5 43.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.486 HD13 HD11 ' A' ' 52' ' ' ILE . 56.4 mt -98.78 139.43 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -91.78 -31.81 15.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.6 155.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.567 ' CG2' HG23 ' A' ' 36' ' ' THR . 46.5 mt -131.2 106.83 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -90.96 109.19 20.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.449 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 2.2 tp -112.0 125.41 54.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 8.0 mttt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.29 9.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 12.7 p90 -122.54 155.43 36.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -156.82 167.27 30.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -124.38 111.96 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 52' ' ' ILE . 81.7 t -90.65 132.46 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.26 138.23 45.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -110.33 146.85 35.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -60.26 -47.35 86.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -110.72 156.24 40.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -49.82 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -42.51 -55.12 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -51.46 68.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.531 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.94 -39.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 77' ' ' ALA . 6.0 mt-10 -76.32 -62.43 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 80' ' ' GLY . 79.2 m-20 -40.43 -30.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HB1' ' HD1' ' A' ' 43' ' ' PHE . . . -75.06 -67.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.781 HG23 HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -46.61 -33.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -85.17 -32.71 22.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -66.46 -65.74 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.649 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 35.5 mmt180 -67.69 -97.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER 41.22 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.08 36.72 6.55 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.649 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 67.9 t80 -80.77 140.78 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -87.25 111.7 21.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -112.3 91.86 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 63.13 21.06 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.39 -23.59 26.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -79.68 117.35 20.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.985 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.75 137.49 39.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.972 HD22 HD23 ' A' ' 30' ' ' LEU . 12.1 mt -110.52 151.72 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.93 105.05 11.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.781 HG12 HG23 ' A' ' 78' ' ' VAL . 3.5 t -103.68 120.21 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -159.92 147.55 16.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CE1' HG22 ' A' ' 25' ' ' ILE . 13.9 m-85 -66.96 147.89 98.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.566 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 31.7 pt -106.76 153.7 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 65' ' ' PHE . 63.3 t80 -114.57 131.19 56.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 111.066 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.53 HG22 HG13 ' A' ' 93' ' ' VAL . 41.5 t -110.26 126.13 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.18 -177.78 16.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.627 ' O ' HD23 ' A' ' 91' ' ' LEU . 10.1 m120 50.29 59.53 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.98 HD23 HD22 ' A' ' 91' ' ' LEU . 29.1 mt -104.22 159.5 29.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.455 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.97 165.76 30.67 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.7 11.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -109.4 50.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.487 HG12 HD11 ' A' ' 39' ' ' ILE . 9.2 tp -96.87 156.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -129.23 140.94 51.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.805 HG23 ' CG2' ' A' ' 52' ' ' ILE . 46.6 m -58.12 -26.99 63.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -74.85 -55.15 6.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.828 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.7 m-20 -50.54 -35.29 28.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.487 HD11 HG12 ' A' ' 34' ' ' ILE . 61.2 mt -75.34 -26.7 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.618 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.4 tt0 -71.28 -62.49 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.84 -36.33 58.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.7 t -49.01 -53.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 34.7 m-85 -81.96 -40.89 21.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -38.48 -37.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.71 -30.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -83.6 -54.74 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.21 -130.92 1.73 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.92 164.69 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.529 HD12 ' HG3' ' A' ' 40' ' ' GLU . 39.4 mt -114.27 156.2 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -105.51 -26.72 11.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 t0 174.9 155.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.805 ' CG2' HG23 ' A' ' 36' ' ' THR . 10.5 mt -130.96 121.83 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -105.09 109.79 21.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.547 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.8 tp -113.71 126.94 55.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.3 mttt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.87 15.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 21.0 p90 -129.11 154.4 46.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.81 159.0 36.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 51.0 m-85 -114.13 137.73 51.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.4 122.93 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -94.8 137.79 33.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -112.37 148.19 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.9 -38.11 87.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.27 156.49 63.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -49.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -40.23 -61.63 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.34 -46.91 82.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.538 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -50.15 -28.44 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -88.8 -50.31 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -52.12 -30.46 26.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -76.32 -64.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.839 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -51.63 -32.19 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -65.25 -18.96 65.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.31 -65.36 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 72.6 mmt-85 -39.13 -34.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 0.731 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 98.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.01 35.32 4.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.401 ' CG ' ' N ' ' A' ' 85' ' ' ASP . 66.6 t80 -84.53 165.88 17.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 25.7 t70 -116.92 95.03 4.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -90.5 95.49 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t70 56.43 30.79 17.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.68 -35.07 5.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.556 1.16 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -69.01 114.74 7.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -74.0 132.19 42.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.98 HD22 HD23 ' A' ' 30' ' ' LEU . 50.7 mt -107.08 148.32 28.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.29 97.6 5.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.839 HG12 HG23 ' A' ' 78' ' ' VAL . 2.1 t -97.52 125.78 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -160.08 150.37 18.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.505 ' CE1' HG22 ' A' ' 25' ' ' ILE . 32.8 m-85 -70.8 145.73 92.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.543 ' CD1' ' CE1' ' A' ' 43' ' ' PHE . 6.9 pt -113.62 128.83 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -88.86 131.49 35.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.0 t -109.89 131.7 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.33 179.61 16.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.663 ' O ' HD23 ' A' ' 91' ' ' LEU . 4.1 m120 54.47 58.05 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.664 HD23 HD22 ' A' ' 91' ' ' LEU . 14.4 mt -108.83 158.91 32.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.477 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.05 165.68 30.73 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.447 1.761 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -28.34 9.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -104.82 47.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.551 HG12 HD22 ' A' ' 30' ' ' LEU . 8.6 tp -96.56 155.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -128.42 148.65 50.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.776 HG23 ' CG2' ' A' ' 52' ' ' ILE . 59.5 m -64.33 -19.76 65.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -80.96 -57.28 3.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.718 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.4 m-20 -48.24 -38.49 18.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.444 HD11 HG12 ' A' ' 34' ' ' ILE . 49.8 mt -72.22 -33.22 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 37' ' ' LYS . 1.7 tt0 -63.18 -65.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 2.7 t70 -40.24 -49.36 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 38' ' ' ASP . 55.7 t -43.25 -66.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.638 ' HD1' ' HB1' ' A' ' 77' ' ' ALA . 50.8 m-85 -66.84 -50.91 61.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -42.58 -27.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -53.09 -20.89 4.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.541 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 70.2 m-85 -96.33 -54.37 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.47 -140.57 3.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.58 148.87 43.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.423 HG22 ' H ' ' A' ' 51' ' ' ASP . 23.2 mt -103.21 146.25 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -28.25 17.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.423 ' H ' HG22 ' A' ' 49' ' ' ILE . 9.8 t70 177.86 154.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.776 ' CG2' HG23 ' A' ' 36' ' ' THR . 35.2 mt -128.55 122.53 57.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -105.19 112.9 26.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.8 tp -113.94 123.79 50.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 11.4 mttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.37 11.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 22.8 p90 -123.71 156.54 35.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.54 162.34 38.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -117.66 146.11 43.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.15 129.86 73.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -107.52 110.23 22.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.25 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.72 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 23.3 m-85 -87.73 156.76 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -73.35 -17.98 61.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.1 151.11 40.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.86 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -48.37 -45.33 35.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.5 m-20 -74.84 -55.13 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.72 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.33 -38.05 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -74.21 -48.16 30.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 73' ' ' ASP . 31.9 m-20 -51.03 -32.29 21.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.638 ' HB1' ' HD1' ' A' ' 43' ' ' PHE . . . -74.25 -63.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.091 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.04 -31.93 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -66.57 -11.63 53.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -125.27 -67.11 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.631 ' N ' ' HE ' ' A' ' 81' ' ' ARG . 1.2 mmp_? -40.01 -29.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' GLY . 2.5 t0 -65.46 102.28 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.58 32.32 5.18 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -90.5 144.96 25.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.47 94.56 5.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -88.32 100.1 12.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t70 60.78 26.54 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.09 -29.8 11.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -73.71 109.53 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.11 104.18 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.664 HD22 HD23 ' A' ' 30' ' ' LEU . 62.7 mt -70.55 167.88 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -139.26 99.47 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.091 HG12 HG23 ' A' ' 78' ' ' VAL . 7.9 t -99.79 126.78 53.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -159.87 147.8 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.506 ' CE2' HG11 ' A' ' 78' ' ' VAL . 40.3 m-85 -68.73 150.19 97.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.444 HG22 ' CE1' ' A' ' 95' ' ' PHE . 21.4 pt -126.19 156.66 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -112.81 131.32 55.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 t -116.3 125.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.72 -176.38 14.46 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 60.64 28.33 18.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.674 HD23 HD22 ' A' ' 91' ' ' LEU . 7.1 mt -78.23 158.52 76.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.473 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -75.02 167.65 26.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -29.79 7.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -104.36 49.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.473 HD13 ' CG ' ' A' ' 31' ' ' PRO . 9.3 tp -98.07 156.49 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.09 152.79 48.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.738 HG23 ' CG2' ' A' ' 52' ' ' ILE . 95.9 m -65.26 -22.89 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -80.85 -54.03 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.603 ' O ' HG23 ' A' ' 42' ' ' VAL . 44.2 m-20 -49.25 -39.36 30.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mt -71.66 -28.74 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.6 tt0 -70.86 -68.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -42.57 -41.2 2.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 38' ' ' ASP . 3.1 t -50.03 -65.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 27.8 m-85 -66.52 -38.42 87.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -45.63 -24.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -19.51 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -95.17 -55.45 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.06 -130.21 1.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.48 162.82 24.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 0.781 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.486 HG21 ' CG1' ' A' ' 52' ' ' ILE . 31.8 mt -115.27 145.68 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.08 -40.05 11.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -169.42 152.8 4.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.738 ' CG2' HG23 ' A' ' 36' ' ' THR . 32.1 mt -129.74 135.17 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 8.6 m-20 -123.6 114.17 19.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -115.41 123.39 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.561 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 2.5 mptt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.4 Cg_endo -74.95 126.21 9.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 17.5 p90 -119.01 155.22 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.96 163.16 38.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -117.19 149.61 40.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -125.38 127.65 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -109.28 121.5 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 m-85 -94.71 165.57 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -78.55 -35.08 46.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.39 158.99 56.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -47.74 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -43.23 -58.81 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -58.38 -47.18 84.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -51.42 -25.91 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.74 -55.5 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -51.46 -30.31 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.46 -62.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.1 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -58.59 -31.92 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -63.73 -11.57 27.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -121.72 -69.43 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.633 ' N ' ' HE ' ' A' ' 81' ' ' ARG . 1.4 mmp_? -39.6 -29.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 11.9 t0 -63.67 92.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.22 8.39 14.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.404 ' HD2' HD12 ' A' ' 91' ' ' LEU . 8.4 t80 -64.11 163.94 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -127.7 112.65 15.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.521 ' CB ' HD11 ' A' ' 91' ' ' LEU . 41.6 t80 -132.66 127.34 34.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.3 t0 67.09 18.69 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.78 7.5 85.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -107.36 135.76 48.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 91.33 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.674 HD22 HD23 ' A' ' 30' ' ' LEU . 8.7 mt -56.7 152.75 11.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.87 106.91 10.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 1.1 HG12 HG23 ' A' ' 78' ' ' VAL . 4.5 t -106.65 128.29 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.99 154.32 23.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CE2' HG11 ' A' ' 78' ' ' VAL . 29.2 m-85 -78.77 150.38 75.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.492 HG22 ' CE1' ' A' ' 95' ' ' PHE . 22.7 pt -125.22 160.36 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 69.7 t80 -120.17 128.75 53.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.5 t -108.7 117.66 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.74 178.33 18.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.664 ' O ' HD23 ' A' ' 91' ' ' LEU . 3.1 t30 52.35 73.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.25 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.825 HD23 HD22 ' A' ' 91' ' ' LEU . 12.3 mt -117.0 159.83 39.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.99 167.08 27.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -29.44 8.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -104.79 49.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.501 HG12 HD22 ' A' ' 30' ' ' LEU . 9.6 tp -96.86 156.6 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -131.62 143.16 50.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.463 ' CG2' ' CG2' ' A' ' 52' ' ' ILE . 2.3 m -55.26 -42.33 73.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -63.35 -54.2 40.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.09 -42.11 37.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.432 HD11 ' CG1' ' A' ' 34' ' ' ILE . 45.8 mt -69.61 -27.52 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.579 ' HG3' HD12 ' A' ' 49' ' ' ILE . 3.3 tt0 -73.18 -65.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -42.53 -49.54 5.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -43.5 -65.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.554 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 27.4 m-85 -65.09 -31.67 72.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -53.46 -18.92 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HD2' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -56.17 -18.82 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.555 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 45.4 m-85 -96.77 -55.36 2.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.62 -136.84 2.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.27 147.56 46.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.579 HD12 ' HG3' ' A' ' 40' ' ' GLU . 15.0 mt -96.76 145.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -30.03 21.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.1 t70 177.63 160.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.538 HD11 HD13 ' A' ' 49' ' ' ILE . 35.7 mt -134.44 136.39 52.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -115.11 101.06 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -95.72 118.26 32.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' CB ' ' CE2' ' A' ' 63' ' ' PHE . 11.5 mmtt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 126.58 10.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.476 ' CE2' ' CB ' ' A' ' 55' ' ' LYS . 17.4 p90 -119.93 154.88 33.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -158.77 158.26 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 51.0 m-85 -112.62 149.86 32.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.34 129.92 74.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -109.75 101.94 10.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.654 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 9.3 m-85 -74.53 161.76 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -79.5 -17.64 53.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -141.51 154.25 66.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ARG . 18.4 Cg_endo -74.96 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PRO . 71.6 mtt180 -38.2 -58.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -59.51 -59.1 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -42.55 -34.19 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 3.8 mt-10 -78.08 -55.24 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.11 -19.79 14.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.33 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.588 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -43.25 -34.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 75' ' ' GLU . 17.0 m-85 -77.68 -44.73 27.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.59 -73.47 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.554 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 6.0 mmp_? -39.18 -41.99 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.351 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.81 96.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 104.39 32.5 4.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' ARG . 72.0 t80 -77.52 164.42 25.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.784 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -122.74 99.95 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.484 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 24.2 t80 -97.82 93.22 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.8 t0 53.05 37.69 25.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.74 -39.23 2.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -68.24 105.95 2.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.517 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 19.7 mtm180 -73.04 133.11 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.825 HD22 HD23 ' A' ' 30' ' ' LEU . 36.0 mt -101.52 147.68 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.8 97.65 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 HG23 ' A' ' 78' ' ' VAL . 4.3 t -95.75 132.4 40.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -160.21 151.56 19.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.588 ' CE2' HG11 ' A' ' 78' ' ' VAL . 6.2 m-85 -70.38 150.32 95.77 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -166.72 164.41 16.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.35 162.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.3 164.22 12.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -164.36 163.1 22.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.756 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.09 138.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.31 -171.23 13.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.78 129.37 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.46 160.73 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.43 -149.28 19.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.59 135.31 3.3 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.419 ' C ' HG22 ' A' ' 13' ' ' VAL . . . 177.94 -155.73 17.88 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.419 HG22 ' C ' ' A' ' 12' ' ' GLY . 28.8 m 41.93 56.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.7 tt -46.29 -47.27 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 mtt180 -144.61 135.11 24.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.47 162.35 31.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.62 11.64 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.1 154.1 45.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.61 -108.43 1.24 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -172.2 113.05 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 109.363 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -177.02 167.93 2.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -119.75 -172.45 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.5 m 59.87 31.79 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -110.2 127.83 55.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 11.3 pt -126.42 136.88 59.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 41.7 t80 -97.92 131.55 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.496 HG12 HD11 ' A' ' 30' ' ' LEU . 59.8 t -111.6 125.65 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.1 179.94 15.96 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.611 ' O ' HD23 ' A' ' 91' ' ' LEU . 3.1 m-20 57.34 46.98 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.73 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.792 HD23 HD22 ' A' ' 91' ' ' LEU . 16.7 mt -100.24 160.05 28.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.537 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.05 163.06 35.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.01 10.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -102.84 45.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.537 HD13 ' HG2' ' A' ' 31' ' ' PRO . 8.7 tp -98.76 156.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -129.82 153.39 48.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 m -66.58 -22.97 66.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -72.8 -56.8 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.8 ' O ' HG23 ' A' ' 42' ' ' VAL . 27.3 m-20 -47.11 -45.08 21.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.7 mt -66.64 -31.18 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.519 ' HA ' HD13 ' A' ' 49' ' ' ILE . 1.2 tt0 -69.08 -57.88 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.17 -14.41 37.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.7 t -77.83 -65.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 47.1 m-85 -72.47 -13.07 61.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.48 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.2 t80 -63.89 -26.82 68.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -64.2 -19.41 65.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -98.59 27.14 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.51 -114.78 2.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -146.98 169.01 20.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 40' ' ' GLU . 7.7 mt -120.7 145.84 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.82 -42.69 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -170.41 144.84 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.512 ' CG1' HG21 ' A' ' 49' ' ' ILE . 11.0 mt -122.68 129.56 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -116.29 114.54 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.605 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -116.69 123.54 47.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 3.0 mptt -75.75 -75.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 65.05 91.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -177.12 165.58 2.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -39.89 128.48 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.5 67.58 0.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.91 -155.04 50.52 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 172.46 16.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.23 18.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.822 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.533 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 2.7 p90 -128.68 151.7 49.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -156.49 158.89 38.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -116.04 136.7 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 t -111.43 123.39 67.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.86 109.13 20.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.59 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 8.9 m-85 -82.88 169.34 16.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -81.43 -36.1 29.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -126.33 151.2 72.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -49.08 -33.66 12.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.76 -50.08 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.59 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -45.65 -33.73 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 41.9 mt-10 -80.99 -44.1 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.06 -31.55 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.31 -63.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.955 HG23 ' CG1' ' A' ' 93' ' ' VAL . 0.6 OUTLIER -55.45 -33.77 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.444 ' CD1' ' O ' ' A' ' 75' ' ' GLU . 2.4 m-30 -58.09 -18.08 22.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.8 -64.87 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HB3' HG21 ' A' ' 93' ' ' VAL . 33.8 mmt180 -40.07 -31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 16.8 t0 -62.97 93.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.5 20.85 6.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.44 ' HD2' HD12 ' A' ' 91' ' ' LEU . 19.5 t80 -82.71 153.53 25.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.06 113.01 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -121.46 128.58 52.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 61.99 21.01 12.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.94 -16.34 57.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.93 137.34 32.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.59 143.07 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.792 HD22 HD23 ' A' ' 30' ' ' LEU . 38.5 mt -112.96 148.0 35.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -121.29 99.57 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.955 ' CG1' HG23 ' A' ' 78' ' ' VAL . 3.5 t -96.98 126.81 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.03 153.77 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -76.02 150.3 83.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.19 36.32 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -58.78 147.76 32.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.0 -53.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.68 -166.94 20.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -94.71 165.35 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.22 84.17 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.3 m -141.44 96.44 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.368 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -104.43 173.61 21.35 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.68 169.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.06 171.16 14.76 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.566 1.824 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.91 -57.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.037 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t 62.17 92.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 p -160.69 -58.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 0.809 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -146.2 151.6 37.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.032 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.98 159.32 27.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -155.63 115.98 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.44 152.63 34.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.028 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.67 140.93 8.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -165.78 134.12 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -102.62 152.0 21.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.939 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.35 148.48 5.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.26 135.46 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.22 142.1 4.14 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 p -122.94 143.62 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.2 tt -76.2 159.35 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 4.4 ptp180 -47.77 164.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.6 157.35 29.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.25 4.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.49 173.2 6.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.38 172.52 44.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.35 108.62 10.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 53.66 173.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 6.4 m-20 -115.81 107.54 15.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 62.8 m -96.55 -16.69 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -104.06 114.23 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.624 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 38.5 pt -102.7 147.1 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.8 t80 -111.02 129.0 56.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.74 133.32 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.88 178.48 18.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 61.43 31.48 19.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.891 HD23 HD22 ' A' ' 91' ' ' LEU . 17.2 mt -80.02 159.94 69.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.452 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.98 166.54 29.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.804 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -28.27 9.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -106.67 50.12 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 9.0 tp -96.4 156.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -130.87 137.34 49.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -49.66 -47.48 50.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -55.09 -56.26 21.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' VAL . 6.9 m-20 -49.88 -38.75 36.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 mt -73.07 -26.74 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 49' ' ' ILE . 2.1 tt0 -73.38 -67.62 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 8.6 t70 -42.06 -41.1 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 38' ' ' ASP . 3.2 t -46.9 -65.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.624 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 46.2 m-85 -70.67 -31.71 68.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.54 -18.88 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -63.23 -13.58 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -100.13 -57.12 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.05 -128.92 1.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.33 162.43 21.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.557 HD12 ' HG3' ' A' ' 40' ' ' GLU . 33.5 mt -114.91 141.09 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -42.6 13.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.7 152.17 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 11.6 mt -127.72 115.95 41.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -103.82 110.57 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -114.42 124.37 51.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -71.49 -79.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 53.62 101.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.54 -46.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -176.13 158.99 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.37 93.29 1.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.46 -154.08 17.24 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.55 14.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 126.14 9.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 10.6 p90 -125.06 154.25 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.512 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -152.5 161.53 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -117.69 108.89 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.5 126.62 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -99.3 142.88 30.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -117.82 148.83 41.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.98 -38.66 91.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.86 156.55 65.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.05 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 -39.03 -56.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.16 -52.01 64.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -43.46 -30.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.01 -63.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -40.74 -33.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HB1' ' CD2' ' A' ' 43' ' ' PHE . . . -69.35 -66.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.982 HG23 HG12 ' A' ' 93' ' ' VAL . 0.7 OUTLIER -52.41 -33.36 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -65.99 -14.98 62.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.92 -68.3 0.27 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 6.1 mmp_? -38.86 -32.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 2.8 t70 -57.83 99.86 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.16 40.43 3.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -91.08 150.51 21.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -96.75 101.44 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.502 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 26.4 t80 -103.99 106.71 17.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t0 53.71 28.18 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.96 -36.9 3.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -64.58 151.77 43.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -105.0 130.06 53.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.891 HD22 HD23 ' A' ' 30' ' ' LEU . 20.1 mt -103.56 153.48 20.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -124.45 100.2 6.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.982 HG12 HG23 ' A' ' 78' ' ' VAL . 4.3 t -97.76 123.08 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.98 151.78 20.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CE2' HG11 ' A' ' 78' ' ' VAL . 59.3 m-85 -74.54 148.43 85.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.91 160.86 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 p -168.55 160.19 10.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.17 61.06 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -174.21 132.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 0.786 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.19 -149.04 18.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.444 1.09 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.5 m 62.69 127.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 110.404 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 170.79 -105.56 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.088 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.24 161.94 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 150.45 77.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.28 133.06 45.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.5 p -119.12 -58.52 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.82 173.28 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 0.733 . . . . 0.0 110.038 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t 62.36 158.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.55 -129.78 3.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.33 -60.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.25 167.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.81 124.76 0.76 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtm -158.47 152.98 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 p -177.02 164.9 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.45 152.47 5.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.0 162.73 15.44 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.34 -156.02 26.33 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.47 106.52 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 pt -112.46 17.66 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -169.0 171.6 8.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.3 157.23 22.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.67 8.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.64 168.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.88 114.7 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -143.32 163.35 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -80.06 148.05 31.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -154.75 116.33 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.4 m -121.39 32.17 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 8.0 ptp180 -114.44 121.13 42.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.613 HG22 ' CE1' ' A' ' 95' ' ' PHE . 9.2 pt -108.18 160.29 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -121.35 137.43 54.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 93' ' ' VAL . 37.4 t -118.01 127.85 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.0 -175.21 14.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.425 1.078 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 90' ' ' ARG . 0.1 OUTLIER 59.08 17.21 5.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.7 HD22 HG12 ' A' ' 34' ' ' ILE . 10.4 mt -65.68 158.86 72.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.476 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.99 166.85 28.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -28.13 9.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -107.06 50.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.7 HG12 HD22 ' A' ' 30' ' ' LEU . 9.5 tp -97.23 156.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -130.83 143.26 50.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.508 ' CG2' ' CG2' ' A' ' 52' ' ' ILE . 1.9 m -53.59 -44.1 69.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -62.48 -52.9 61.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.809 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.7 m-20 -50.02 -41.8 48.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.5 mt -70.07 -26.57 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.8 tt0 -74.18 -64.3 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -51.55 -22.18 3.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.7 t -67.0 -52.76 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE2' HD11 ' A' ' 25' ' ' ILE . 27.8 m-85 -82.33 -21.35 36.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -58.99 -14.82 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -13.79 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -99.8 -60.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.35 -128.12 1.81 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.76 164.76 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.429 HG21 HG13 ' A' ' 52' ' ' ILE . 17.9 mt -116.83 145.05 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -36.07 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -175.35 157.01 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.508 ' CG2' ' CG2' ' A' ' 36' ' ' THR . 34.4 mt -131.05 129.47 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -118.34 111.3 18.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 3.2 tp -113.52 127.33 56.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.7 mmmt -105.66 98.88 8.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -99.54 90.4 4.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.82 96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 168.09 173.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.36 71.95 0.45 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.83 -158.68 25.78 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.2 Cg_endo -74.99 147.47 34.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.3 Cg_endo -75.01 138.78 23.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 55' ' ' LYS . 35.9 p90 -127.82 156.55 42.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.479 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -159.58 166.55 30.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -118.98 144.18 46.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.35 122.08 68.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.14 115.05 29.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.737 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 6.2 m-85 -90.78 161.79 15.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -78.24 -43.44 28.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.04 150.83 44.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.96 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -48.14 -47.76 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.85 -57.56 3.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.737 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.43 -33.63 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -80.86 -67.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -40.33 -32.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.15 -62.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.046 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -55.16 -32.44 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -73.41 -11.56 60.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -108.52 -76.49 0.94 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.569 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 30.4 mmt180 -38.74 -37.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.9 OUTLIER -43.41 98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 97.87 38.54 4.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 43.4 t80 -85.02 170.24 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.735 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 2.9 t70 -122.97 99.65 6.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -99.11 96.34 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.3 t0 55.7 32.21 18.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.41 -35.12 5.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.476 ' CG ' ' HB3' ' A' ' 31' ' ' PRO . 98.6 m-85 -70.47 108.32 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -73.58 127.68 33.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.555 HD22 HD23 ' A' ' 30' ' ' LEU . 12.0 mt -96.49 151.47 19.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -121.73 97.84 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.046 HG12 HG23 ' A' ' 78' ' ' VAL . 2.7 t -95.96 126.43 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -159.9 148.37 17.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.613 ' CE1' HG22 ' A' ' 25' ' ' ILE . 16.5 m-85 -70.08 150.19 96.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -168.32 153.83 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.9 t -166.25 162.72 17.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -120.19 127.83 7.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.16 128.24 17.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.39 160.44 8.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.1 p -133.32 163.74 28.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.457 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -107.53 177.21 21.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.0 p -146.22 153.24 40.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.977 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.45 97.29 0.54 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.436 1.085 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.14 174.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.01 165.99 26.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -172.54 124.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.62 121.95 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.54 166.0 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.46 137.19 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.011 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -88.44 158.03 18.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.59 110.52 0.46 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -121.08 -55.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.759 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.14 95.95 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.91 146.2 10.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.29 168.84 1.03 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.85 126.73 2.19 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.1 t 50.4 87.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 15' ' ' ARG . 17.0 tt -59.75 -52.2 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' N ' HG23 ' A' ' 14' ' ' ILE . 24.8 mtp180 -139.79 157.96 44.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.1 157.27 27.32 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 117.25 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 148.36 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.43 -125.87 5.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -128.85 128.58 44.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 66.16 97.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -70.48 87.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 71' ' ' PRO . 30.6 m -105.39 31.24 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.294 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -111.25 138.48 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.785 HG22 ' CE1' ' A' ' 95' ' ' PHE . 12.0 pt -132.46 136.28 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 57.1 t80 -94.97 130.5 41.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.427 HG22 HG13 ' A' ' 93' ' ' VAL . 67.3 t -111.51 124.46 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.3 177.49 16.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.843 ' O ' HD23 ' A' ' 91' ' ' LEU . 34.6 m-20 56.11 62.92 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.056 HD23 HD22 ' A' ' 91' ' ' LEU . 20.0 mt -113.0 160.39 31.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.494 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 162.19 37.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.37 10.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.14 32.2 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.494 HD13 ' HG2' ' A' ' 31' ' ' PRO . 9.1 tp -86.5 156.46 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -128.47 159.21 36.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m -72.1 -33.74 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' GLU . 1.4 tptt -73.88 -51.9 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.878 ' O ' HG23 ' A' ' 42' ' ' VAL . 62.4 m-20 -47.89 -44.81 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.3 mt -66.79 -29.14 45.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.1 tt0 -72.97 -51.36 18.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.29 -21.5 59.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 38' ' ' ASP . 39.3 t -70.02 -66.01 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 51.3 m-85 -66.2 -31.33 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.455 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -50.67 -25.58 4.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -57.05 -18.31 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 62.3 m-85 -99.31 -57.83 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.36 -138.55 3.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.75 151.03 47.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.621 HG21 HG13 ' A' ' 52' ' ' ILE . 3.6 mt -99.8 148.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -29.72 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 178.35 144.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.621 HG13 HG21 ' A' ' 49' ' ' ILE . 11.8 mt -122.76 124.58 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -109.45 111.67 23.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 1.7 tp -110.92 123.94 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mttt -88.54 -67.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 49.56 88.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.48 -57.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -52.06 144.41 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -39.79 130.84 2.49 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.04 -167.06 12.21 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.506 1.793 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.98 10.33 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 11.7 p90 -121.51 154.15 37.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -158.95 157.23 30.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 6.5 m-85 -114.49 138.25 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -110.9 131.09 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -107.11 102.77 12.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.551 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 9.2 m-85 -76.88 164.47 25.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -79.03 -42.44 26.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.07 153.75 57.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 18.3 Cg_endo -75.05 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -44.64 -45.1 9.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.64 -47.18 19.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -50.13 -27.24 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -89.59 -48.44 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -53.92 -31.24 49.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.88 -63.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.97 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -57.03 -32.85 41.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -59.93 -13.93 13.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.93 -68.94 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.62 ' HB3' HG21 ' A' ' 93' ' ' VAL . 26.6 mmt180 -38.69 -38.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 17.1 t0 -54.15 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 114.13 25.75 4.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -89.28 163.69 15.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -127.5 108.69 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.419 ' HB3' HD11 ' A' ' 91' ' ' LEU . 89.3 t80 -113.32 134.4 54.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t0 59.01 20.99 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.14 -17.42 53.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.45 134.68 33.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.79 143.88 34.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.056 HD22 HD23 ' A' ' 30' ' ' LEU . 7.8 mt -117.98 158.91 24.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.05 102.17 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.97 HG12 HG23 ' A' ' 78' ' ' VAL . 5.8 t -97.56 123.81 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.06 155.19 24.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.785 ' CE1' HG22 ' A' ' 25' ' ' ILE . 67.3 m-85 -77.31 148.33 77.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo -74.97 71.6 4.92 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 62.13 170.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.326 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.6 m -149.55 112.69 4.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -38.91 146.23 0.17 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.23 143.21 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -171.9 66.89 0.13 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t -130.35 131.69 45.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 0.811 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.35 -90.2 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.31 166.58 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 0.736 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.97 -148.04 18.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.095 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 91.09 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.6 t -50.32 146.12 5.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.74 148.29 22.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.19 119.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.757 . . . . 0.0 109.962 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.68 169.06 10.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.934 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.78 158.78 24.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 p -166.07 174.96 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -140.03 155.69 46.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.03 -124.07 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 ttp 57.41 90.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.45 -56.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.08 -155.11 21.3 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.437 1.086 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.04 145.81 15.24 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.406 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 153.2 159.21 8.95 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 13' ' ' VAL . 2.5 p 40.69 64.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.29 16.19 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.69 179.65 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.84 156.58 25.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.38 7.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.12 122.67 18.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.04 -146.15 12.91 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.53 108.15 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 0.731 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 178.11 156.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 23' ' ' CYS . 1.7 m-20 59.77 155.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 1.8 p 164.62 -33.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -86.9 129.32 34.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.526 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 19.2 pt -124.92 140.47 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 56.6 t80 -100.7 126.23 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.0 t -111.44 116.33 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.67 -179.16 19.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.702 ' O ' HD23 ' A' ' 91' ' ' LEU . 8.6 m-20 52.54 64.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.008 HD23 HD22 ' A' ' 91' ' ' LEU . 14.6 mt -112.11 158.55 36.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.528 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.99 164.69 32.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.09 11.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -104.78 47.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 31' ' ' PRO . 8.6 tp -100.76 156.29 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -131.64 157.32 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -66.96 -40.13 87.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' GLU . 6.3 mttm -61.52 -58.66 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.82 ' O ' HG23 ' A' ' 42' ' ' VAL . 69.0 m-20 -45.83 -46.82 15.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.7 -32.79 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.534 ' HG3' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -68.99 -64.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 7.0 t0 -51.22 -30.17 16.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.6 t -57.39 -64.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.526 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 28.7 m-85 -66.74 -27.78 67.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -52.7 -19.53 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HG2' ' NH2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -61.46 -15.61 39.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -98.7 -57.98 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.72 -126.62 1.65 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.46 164.54 20.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.59 HG21 HD11 ' A' ' 52' ' ' ILE . 54.9 mt -118.71 138.19 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -52.25 5.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -159.32 156.74 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 49' ' ' ILE . 59.5 mt -135.34 138.56 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 5.4 t0 -126.68 116.14 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.513 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -115.71 123.38 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -85.58 86.61 7.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -84.29 142.19 30.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.85 107.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -178.45 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.6 179.75 42.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.25 -155.2 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.5 Cg_endo -75.0 154.81 42.78 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.3 Cg_endo -75.07 133.33 16.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 18.3 p90 -130.07 154.83 47.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.513 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -155.36 167.16 31.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 13.4 m-85 -120.38 148.36 43.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.534 HG13 HG12 ' A' ' 52' ' ' ILE . 6.1 t -127.34 126.7 68.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.83 113.31 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.546 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 6.1 m-85 -84.81 161.65 19.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -74.43 -41.6 60.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.46 154.06 56.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.98 -43.3 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -41.82 -45.16 3.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.1 -52.79 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.46 -37.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.0 mt-10 -75.22 -69.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' GLY . 7.8 m-20 -40.29 -33.97 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.5 -59.95 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.675 HG23 HG12 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -56.38 -29.18 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -86.05 -29.16 23.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -82.73 -78.1 1.06 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.535 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 26.8 mmt180 -38.8 -40.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER -39.81 98.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 100.45 39.93 3.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 59.0 t80 -92.34 152.64 19.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 0.811 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.458 ' OD1' ' CA ' ' A' ' 88' ' ' GLY . 52.5 t0 -108.32 103.66 12.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -100.04 96.94 7.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 58.23 25.18 12.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.458 ' CA ' ' OD1' ' A' ' 85' ' ' ASP . . . 106.19 -28.0 15.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -76.48 109.04 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -75.2 124.17 26.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.008 HD22 HD23 ' A' ' 30' ' ' LEU . 17.5 mt -94.81 164.31 12.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -131.41 97.69 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.675 HG12 HG23 ' A' ' 78' ' ' VAL . 9.8 t -94.38 129.81 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -159.96 150.24 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CE2' HG11 ' A' ' 78' ' ' VAL . 2.0 m-85 -72.05 150.12 92.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 123.95 8.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.03 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -177.51 95.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.02 125.74 11.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 113.22 -171.17 13.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.72 141.92 34.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 148.49 80.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.1 t -167.05 123.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -59.38 162.33 14.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.1 p -147.31 142.73 27.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 103.32 154.15 24.18 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 151.48 39.43 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.1 m 55.21 167.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.1 94.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -145.1 87.02 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.975 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -176.3 160.45 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.72 -121.22 2.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m 54.24 103.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.69 -64.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.72 118.29 1.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.84 144.52 29.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.1 p -133.8 154.27 51.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.72 171.51 40.93 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.118 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.05 120.1 1.49 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.0 150.49 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 14' ' ' ILE . 35.9 m -148.08 169.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 13' ' ' VAL . 2.2 pt -150.58 -54.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -48.59 121.9 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.249 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.49 174.03 1.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.37 20.28 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.11 97.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.79 169.23 40.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -139.37 -52.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -105.79 156.09 18.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -87.38 147.09 25.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.8 p 179.22 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.81 114.81 25.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.68 HG22 ' CE1' ' A' ' 95' ' ' PHE . 8.5 pt -118.88 141.58 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 79.8 t80 -97.19 126.39 42.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.533 HG12 HD11 ' A' ' 30' ' ' LEU . 85.6 t -107.9 108.1 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.27 169.81 15.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.512 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.4 m-20 59.84 74.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.96 HD23 HD22 ' A' ' 91' ' ' LEU . 19.1 mt -125.54 161.66 49.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.98 160.35 40.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -25.17 12.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.15 25.34 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.71 HG12 HD11 ' A' ' 39' ' ' ILE . 7.4 tp -84.01 155.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.2 mtt-85 -131.36 178.73 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -86.55 -32.36 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -49.52 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.671 ' O ' HG23 ' A' ' 42' ' ' VAL . 86.4 m-20 -56.33 -49.02 75.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.71 HD11 HG12 ' A' ' 34' ' ' ILE . 87.6 mt -66.74 -17.54 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -81.81 -66.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.317 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 76.6 m-20 -55.84 -25.08 40.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.2 t -61.24 -62.79 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.403 ' N ' HG12 ' A' ' 42' ' ' VAL . 25.3 m-85 -67.93 -26.32 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -54.52 -18.23 4.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -61.12 -15.08 29.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.438 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 42.2 m-85 -99.32 -53.25 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.55 -129.57 1.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.43 160.78 26.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.49 HD13 HD11 ' A' ' 52' ' ' ILE . 39.3 mt -117.16 144.74 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -32.07 15.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -179.56 161.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.572 HG12 HG13 ' A' ' 66' ' ' VAL . 49.9 mt -136.28 116.72 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -103.46 107.07 17.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.2 tp -108.03 121.27 44.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 7.5 mmtt -74.27 -57.59 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 47.72 94.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ARG . 13.3 ttt180 -179.48 161.55 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ARG . 1.0 OUTLIER -38.79 139.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.86 52.68 0.23 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.74 -155.27 25.52 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.81 17.6 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.07 11.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 6.6 p90 -123.36 152.42 41.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.577 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -153.24 161.5 42.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 8.9 m-85 -120.64 112.49 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.572 HG13 HG12 ' A' ' 52' ' ' ILE . 13.4 t -90.06 136.99 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.14 117.46 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.614 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 14.6 m-85 -90.0 167.42 12.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.18 -40.31 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.82 154.62 48.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -45.91 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -43.25 -52.02 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -57.17 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.614 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.72 -37.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 78' ' ' VAL . 2.9 mt-10 -75.44 -70.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -40.78 -32.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -69.41 -59.88 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.591 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -56.82 -30.97 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -85.8 -14.1 46.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -96.45 -81.19 1.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HB3' HG21 ' A' ' 93' ' ' VAL . 29.0 mmt180 -38.76 -32.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -47.23 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.92 23.31 6.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ARG . 8.4 t80 -78.89 138.93 38.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.52 100.55 10.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.569 ' HB3' HD11 ' A' ' 91' ' ' LEU . 38.5 t80 -118.83 128.35 54.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 t0 67.51 20.69 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.55 2.38 90.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -105.23 147.11 28.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.29 100.11 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.96 HD22 HD23 ' A' ' 30' ' ' LEU . 22.9 mt -69.11 158.2 35.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -127.94 111.7 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 78' ' ' VAL . 45.5 t -106.63 127.96 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -160.11 155.98 26.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.68 ' CE1' HG22 ' A' ' 25' ' ' ILE . 11.1 m-85 -72.12 148.17 91.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -171.83 128.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 t -109.82 151.06 27.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.43 141.46 9.58 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.24 160.67 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.62 98.45 0.14 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.6 m -148.27 83.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.757 . . . . 0.0 110.461 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -140.97 99.07 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.3 m -143.62 140.61 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -171.67 96.04 0.11 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 161.12 39.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.31 168.87 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.9 m 65.22 169.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.1 104.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 0.732 . . . . 0.0 110.034 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.36 115.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.77 159.99 16.46 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -112.1 148.55 33.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.28 135.14 11.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.64 175.56 14.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.65 99.96 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t -82.44 80.31 8.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.96 -90.88 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.52 157.85 8.7 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.17 117.87 1.22 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -86.8 123.95 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.5 tt -76.38 155.6 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -39.94 140.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.31 157.29 18.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -44.08 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.547 1.814 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 66.06 62.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.68 65.85 0.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.135 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -46.17 104.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 14.0 t30 -179.57 101.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.547 ' HB2' ' CD1' ' A' ' 95' ' ' PHE . 1.4 p30 157.02 101.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 61.8 m -98.0 -30.32 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.284 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.84 130.31 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.497 ' CD1' ' CE1' ' A' ' 43' ' ' PHE . 21.5 pt -116.52 141.17 35.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -102.12 132.93 47.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.3 135.46 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.28 173.71 20.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.53 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.1 m-80 58.42 57.02 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.763 HD23 ' CD2' ' A' ' 91' ' ' LEU . 11.6 mt -104.44 160.96 24.31 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.445 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.03 164.58 33.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -25.42 11.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.38 51.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.566 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.7 tp -95.3 155.98 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.82 134.48 49.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.591 HG23 ' CG2' ' A' ' 52' ' ' ILE . 23.3 m -52.3 -34.72 48.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -69.56 -56.25 7.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.73 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.4 m-20 -48.49 -36.61 15.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.566 HD11 ' CG1' ' A' ' 34' ' ' ILE . 43.5 mt -73.53 -32.35 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' LYS . 2.4 tt0 -64.49 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -41.25 -48.33 3.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 38' ' ' ASP . 46.9 t -43.21 -66.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.622 ' HB2' HD11 ' A' ' 49' ' ' ILE . 46.5 m-85 -66.35 -34.74 78.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.057 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -52.55 -19.5 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -15.64 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -99.51 -57.59 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.9 -127.3 1.4 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.04 162.45 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.622 HD11 ' HB2' ' A' ' 43' ' ' PHE . 58.5 mt -116.94 134.02 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -44.38 51.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -172.74 157.48 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.591 ' CG2' HG23 ' A' ' 36' ' ' THR . 27.4 mt -128.87 111.0 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.5 m-20 -98.4 110.89 23.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' A' ' 64' ' ' ALA . 2.0 tp -113.0 125.15 54.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -72.68 -75.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.5 t30 67.91 100.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.39 167.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.71 127.19 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.47 52.74 0.05 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.59 -155.07 26.56 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.82 26.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.84 10.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 14.8 p90 -121.75 156.4 33.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -156.27 160.63 39.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -116.3 111.42 20.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.2 t -90.08 128.88 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -107.71 141.34 39.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 11.2 m-85 -114.03 160.01 19.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -75.8 -33.62 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -124.27 152.08 67.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.49 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.479 1.779 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -42.0 -63.03 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.5 OUTLIER -56.4 -53.96 51.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -42.09 -32.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' A' ' 79' ' ' TYR . 3.5 mt-10 -81.65 -43.0 19.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . 5.7 m-20 -62.57 -33.66 75.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -68.98 -56.06 8.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.02 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -62.9 -30.75 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 3.7 m-30 -67.01 -16.71 64.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -120.22 -68.35 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 6.3 mmp_? -38.31 -30.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.5 t70 -61.66 94.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.29 35.56 2.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -90.2 145.32 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.13 96.2 6.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -89.63 101.42 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 t70 54.15 35.41 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.92 -37.37 3.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -69.7 105.26 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 114.42 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.763 ' CD2' HD23 ' A' ' 30' ' ' LEU . 41.2 mt -80.96 162.29 23.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.01 99.11 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.02 HG12 HG23 ' A' ' 78' ' ' VAL . 4.8 t -96.56 130.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.54 154.33 22.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.63 ' CE2' HG11 ' A' ' 78' ' ' VAL . 21.0 m-85 -78.42 150.19 76.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 125.13 9.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.84 99.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.237 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -118.86 164.31 15.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.21 82.05 1.01 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.139 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 166.24 4.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -119.68 -108.8 2.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.3 p -66.85 139.58 57.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 110.414 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 165.28 113.68 0.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.65 133.56 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 162.52 78.06 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 156.79 42.8 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.4 p -167.57 157.44 10.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 36.5 p -176.35 146.82 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 m -169.2 155.48 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -177.6 170.22 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.16 131.13 1.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.77 158.81 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.43 166.08 16.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.25 152.04 23.66 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.65 86.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.29 146.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.78 -128.64 3.35 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.35 -173.55 41.78 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.49 82.8 0.3 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.0 m -89.68 157.65 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.5 pt 43.61 -157.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 62.3 -91.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.42 176.82 48.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.0 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . 176.43 108.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.79 153.83 52.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.05 88.57 2.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 41.29 86.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.4 m-20 -114.94 100.76 8.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . 92.0 m -78.99 -25.76 43.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.17 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -88.6 122.09 31.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.617 HD11 ' CE2' ' A' ' 43' ' ' PHE . 4.1 pt -119.99 156.95 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -117.94 138.01 52.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.6 t -118.28 130.11 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.19 -175.68 14.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.571 ' O ' HD23 ' A' ' 91' ' ' LEU . 2.3 t-20 51.62 56.08 8.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.734 HD23 HD22 ' A' ' 91' ' ' LEU . 9.6 mt -103.92 159.79 28.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.0 166.56 28.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.66 11.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -107.52 48.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.616 HG12 HD22 ' A' ' 30' ' ' LEU . 8.2 tp -96.4 155.74 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -129.27 160.18 33.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.778 HG23 ' CG2' ' A' ' 52' ' ' ILE . 86.3 m -76.08 -20.22 57.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.98 -51.61 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.9 m-20 -54.75 -39.14 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.531 HD11 ' CG1' ' A' ' 34' ' ' ILE . 40.6 mt -73.96 -21.93 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.2 tt0 -76.46 -65.23 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.33 -34.86 49.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.3 t -50.67 -62.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 25' ' ' ILE . 31.1 m-85 -70.17 -32.97 71.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -47.38 -23.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.504 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -60.36 -17.25 42.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.504 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 55.4 m-85 -95.93 -54.92 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.51 -130.79 1.69 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -120.77 166.98 12.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.453 HD12 ' HG3' ' A' ' 40' ' ' GLU . 74.9 mt -120.76 152.35 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.06 -40.58 6.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -171.74 154.19 3.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.778 ' CG2' HG23 ' A' ' 36' ' ' THR . 26.1 mt -129.34 122.54 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.9 t70 -106.49 110.43 22.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.509 HD12 ' HB2' ' A' ' 64' ' ' ALA . 2.1 tp -111.91 123.46 50.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 6.0 mmtt -81.25 -62.18 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.27 96.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 177.17 168.77 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -40.32 140.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.85 55.8 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.37 -155.28 30.89 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 171.9 17.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 125.79 9.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 17.3 p90 -120.88 157.7 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.509 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -156.6 160.22 39.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -118.53 120.95 39.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.64 137.0 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -111.34 109.3 19.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 3.2 m-85 -88.03 156.81 19.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -73.55 -38.77 65.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.98 151.87 58.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.96 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.7 mtt85 -39.42 -50.09 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -72.38 -52.96 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.539 ' O ' HG21 ' A' ' 25' ' ' ILE . . . -43.95 -30.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.4 mt-10 -82.5 -65.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' GLU . 74.4 m-20 -39.75 -37.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.2 -62.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.898 HG23 HG12 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -52.77 -28.24 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -80.98 -32.45 34.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.47 -72.2 1.23 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.725 ' HB3' HG21 ' A' ' 93' ' ' VAL . 28.6 mmt180 -38.14 -42.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -40.02 99.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 98.82 40.51 3.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.601 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 30.9 t80 -83.75 170.7 13.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -128.35 94.48 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -91.64 95.49 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.94 37.75 25.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.79 -38.92 2.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -69.16 107.65 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 7.4 mtm180 -73.05 135.85 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.734 HD22 HD23 ' A' ' 30' ' ' LEU . 41.6 mt -103.59 161.71 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.7 97.39 4.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.898 HG12 HG23 ' A' ' 78' ' ' VAL . 2.7 t -96.4 127.54 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -160.09 176.9 11.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.612 ' CE2' HG11 ' A' ' 78' ' ' VAL . 14.8 m-85 -99.04 149.94 36.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.03 43.1 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -142.18 146.97 35.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.2 p -122.45 156.39 34.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 100' ' ' ARG . . . -88.89 -174.38 46.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 5.6 mtp-105 53.75 104.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 110.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.68 119.84 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 102' ' ' THR . 14.6 t -141.36 116.5 9.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.06 -147.8 5.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 m 53.71 73.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.754 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -122.18 97.37 0.6 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 121.41 6.54 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.73 94.44 2.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.02 144.92 8.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.08 162.58 15.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.977 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -174.4 170.09 3.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.38 -169.3 12.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.133 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 p -173.18 170.37 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.64 164.69 13.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.68 -125.51 5.02 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtt 48.53 95.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 0.729 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.2 p -121.34 156.03 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.06 95.88 1.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.25 -111.43 0.26 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.23 74.63 0.21 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.51 12.59 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.1 pt -117.49 -174.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? 55.79 86.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.25 -172.98 25.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.37 -59.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.45 -161.4 12.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -172.79 100.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -88.82 119.43 29.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -146.84 101.0 3.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.79 -35.56 56.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 108.25 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.17 133.81 35.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.82 HG22 ' CE1' ' A' ' 95' ' ' PHE . 8.9 pt -129.02 147.91 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -107.58 130.59 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -106.4 124.16 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.6 174.5 15.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.52 ' O ' HD23 ' A' ' 91' ' ' LEU . 40.6 m-20 48.19 81.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.912 HD23 HD22 ' A' ' 91' ' ' LEU . 22.8 mt -127.32 161.48 54.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.98 161.9 38.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.18 11.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.21 49.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.533 HD13 ' HG2' ' A' ' 31' ' ' PRO . 8.7 tp -98.88 155.89 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.38 147.85 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.735 HG23 ' CG2' ' A' ' 52' ' ' ILE . 89.8 m -64.86 -30.78 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.3 tptt -73.76 -53.24 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.947 ' O ' HG23 ' A' ' 42' ' ' VAL . 76.9 m-20 -48.97 -41.59 34.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.424 HD11 ' CG1' ' A' ' 34' ' ' ILE . 20.5 mt -69.82 -28.21 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.8 tt0 -72.4 -50.12 28.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.69 -19.4 65.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 38' ' ' ASP . 24.9 t -71.95 -65.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -67.94 -27.6 66.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -50.37 -24.99 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -58.95 -16.72 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.507 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 75.8 m-85 -99.56 -54.19 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.49 -144.34 3.89 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.06 149.21 42.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.571 HG21 HG13 ' A' ' 52' ' ' ILE . 4.5 mt -101.01 147.28 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -33.27 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -174.45 149.75 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.735 ' CG2' HG23 ' A' ' 36' ' ' THR . 15.9 mt -129.02 116.92 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -103.57 112.1 24.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 64' ' ' ALA . 2.1 tp -111.94 123.55 50.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.0 mttt -92.21 78.31 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -71.53 159.35 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.98 87.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.33 155.37 2.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.77 149.78 32.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.22 -164.14 54.25 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 160.36 40.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.97 11.14 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.512 1.796 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 23.9 p90 -122.3 157.18 32.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.506 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.17 161.94 39.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -119.01 119.53 34.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.422 HG13 HG12 ' A' ' 52' ' ' ILE . 24.7 t -99.07 136.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -113.89 124.84 53.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -101.29 154.93 18.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.92 -47.09 81.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.78 151.82 52.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.97 -40.57 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -39.02 -65.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 74' ' ' ALA . 1.6 p30 -62.19 -43.69 98.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -43.28 -39.69 3.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 8.8 mt-10 -77.56 -52.9 8.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -54.47 -24.08 18.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -87.09 -63.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.565 ' CG2' HG12 ' A' ' 93' ' ' VAL . 1.3 p -48.14 -36.46 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 75' ' ' GLU . 14.3 m-30 -75.62 -36.33 60.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -67.79 -80.44 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 83' ' ' GLY . 26.0 mmt180 -38.93 -41.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -39.98 98.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 107.62 32.4 3.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -97.75 160.83 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.02 113.61 21.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.66 ' CB ' HD11 ' A' ' 91' ' ' LEU . 34.5 t80 -120.27 120.05 34.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.39 16.17 8.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.0 -1.31 77.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -98.55 147.44 24.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -91.56 110.82 22.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.912 HD22 HD23 ' A' ' 30' ' ' LEU . 12.4 mt -84.25 162.99 19.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -132.44 101.59 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.565 HG12 ' CG2' ' A' ' 78' ' ' VAL . 84.2 t -96.3 128.53 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.24 166.67 29.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.82 ' CE1' HG22 ' A' ' 25' ' ' ILE . 9.1 m-85 -81.92 147.83 59.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 102.28 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.67 -49.57 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 p -53.64 124.26 14.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 157.01 123.88 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.99 148.0 29.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -153.03 76.16 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.1 t -122.57 145.48 48.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.84 172.99 43.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.31 165.75 4.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 0.0 110.042 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -167.45 97.58 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.38 24.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.9 m -142.02 169.54 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 p -156.36 167.83 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.966 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 p -174.5 170.22 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.74 170.0 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.92 -136.94 5.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 p -179.3 120.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.34 163.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.48 106.19 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -175.3 147.36 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 p -150.28 -59.18 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.13 169.41 1.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.87 149.71 19.52 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.93 -122.23 5.02 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.6 t 52.37 84.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.0 pt -131.62 175.12 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 61.76 167.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.11 157.33 19.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 67.48 5.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.66 175.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.86 90.03 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -152.95 -54.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -153.23 139.06 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.542 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 5.8 m-20 -150.48 88.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 17.1 p -107.42 -24.11 11.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -91.89 120.67 32.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.487 HG22 ' CE1' ' A' ' 95' ' ' PHE . 3.7 pt -121.92 147.26 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -104.56 130.13 52.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.427 HG22 HG13 ' A' ' 93' ' ' VAL . 62.2 t -116.95 113.99 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.85 -177.1 18.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.721 ' O ' HD23 ' A' ' 91' ' ' LEU . 2.6 m120 58.21 49.97 10.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.819 HD23 HD22 ' A' ' 91' ' ' LEU . 15.7 mt -101.16 159.93 28.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.59 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.97 165.8 30.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.15 12.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -102.06 41.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.59 HD13 ' HG2' ' A' ' 31' ' ' PRO . 7.7 tp -99.03 158.27 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -129.24 177.19 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.521 HG23 ' CG2' ' A' ' 52' ' ' ILE . 24.0 m -88.8 -23.21 22.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.11 -48.38 8.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.557 ' O ' HG23 ' A' ' 42' ' ' VAL . 79.7 m-20 -52.4 -37.5 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.33 -26.87 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.572 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.7 tt0 -71.52 -68.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 13.7 t70 -43.16 -34.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 38' ' ' ASP . 3.0 t -59.71 -64.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 25' ' ' ILE . 20.1 m-85 -65.84 -25.4 67.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -57.65 -15.84 8.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HG2' ' NH2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.9 -16.88 64.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -97.98 -52.61 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.84 -143.73 3.78 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.06 145.4 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 43.9 mt -101.14 142.79 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -92.69 -33.65 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -176.3 160.45 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.572 HD11 ' HB2' ' A' ' 40' ' ' GLU . 34.1 mt -133.94 143.65 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -120.88 101.14 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -92.9 116.52 29.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 6.0 mmtt -75.82 -78.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 t30 64.9 103.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.5 167.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.7 138.57 41.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.4 49.12 0.17 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.64 -155.33 22.07 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.49 18.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 110.97 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.43 19.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.505 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 2.9 p90 -130.87 152.64 49.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -155.91 158.63 38.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 52' ' ' ILE . 80.2 m-85 -109.74 156.14 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.5 t -133.21 131.16 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.55 112.05 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.721 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 12.4 m-85 -86.56 155.52 20.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.67 -31.81 70.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.92 153.87 81.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.03 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -40.13 -46.38 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.23 -49.04 13.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.721 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -47.16 -33.2 4.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.4 mt-10 -79.54 -65.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -40.19 -36.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.32 -65.8 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.755 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.45 -30.07 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -79.66 -25.13 41.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -93.4 -75.62 1.3 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.879 ' HB3' HG21 ' A' ' 93' ' ' VAL . 67.0 mmt-85 -37.79 -39.42 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.769 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -45.87 95.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 102.87 33.3 4.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 81' ' ' ARG . 17.6 t80 -96.29 163.17 13.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -128.16 111.69 13.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.417 ' HB3' HD11 ' A' ' 91' ' ' LEU . 89.9 t80 -119.14 134.22 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t0 61.38 16.18 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.68 -14.98 64.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.66 140.85 29.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 0.799 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.27 139.49 34.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.819 HD22 HD23 ' A' ' 30' ' ' LEU . 12.5 mt -111.12 159.45 17.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.54 99.21 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.879 HG21 ' HB3' ' A' ' 81' ' ' ARG . 5.9 t -97.76 129.7 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -159.95 155.77 26.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.631 ' CE2' HG11 ' A' ' 78' ' ' VAL . 6.4 m-85 -75.6 150.4 84.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 167.13 27.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.36 151.87 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.43 -61.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.68 -165.47 35.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.1 115.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.44 104.58 0.25 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.09 137.33 5.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -156.58 84.12 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.42 157.81 44.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.76 83.95 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.99 28.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.99 165.16 37.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -160.57 162.2 32.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -173.94 136.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.962 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -165.48 169.4 15.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.01 -136.99 4.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 m 56.53 163.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.76 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -176.02 160.45 2.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.51 173.06 14.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.72 98.63 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.11 134.85 11.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.68 163.59 22.08 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.76 -107.18 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.9 60.45 1.68 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.3 t -86.89 127.04 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.4 tt -73.9 142.18 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -43.07 -43.34 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 58.75 -177.31 2.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.22 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.11 87.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.72 -95.91 0.89 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -166.11 97.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.75 119.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -125.12 97.5 5.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.6 m -125.93 28.14 6.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 108.302 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.11 127.55 55.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.557 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 10.3 pt -123.45 151.7 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 2.2 t80 -113.72 132.23 55.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.75 135.39 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.55 -178.57 15.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m120 58.27 33.02 22.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.087 HD23 HD22 ' A' ' 91' ' ' LEU . 31.7 mt -84.22 159.7 58.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.98 163.29 35.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.542 1.812 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -25.39 11.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.557 1.819 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.26 40.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.848 HG12 HD11 ' A' ' 39' ' ' ILE . 9.1 tp -89.07 156.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -131.01 142.46 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.469 HG23 ' CG2' ' A' ' 52' ' ' ILE . 3.8 m -55.23 -42.69 73.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -61.59 -58.08 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.898 ' O ' HG23 ' A' ' 42' ' ' VAL . 20.6 m-20 -48.91 -41.87 35.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.848 HD11 HG12 ' A' ' 34' ' ' ILE . 95.3 mt -70.2 -28.44 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.1 tt0 -71.1 -63.29 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -49.79 -30.8 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 38' ' ' ASP . 11.6 t -57.72 -66.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 30.6 m-85 -64.51 -23.08 67.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.28 -13.64 13.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.532 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.1 OUTLIER -64.34 -14.27 55.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.532 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 60.7 m-85 -102.88 -59.83 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.81 -129.73 1.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.87 163.07 20.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.767 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.419 HG21 HG13 ' A' ' 52' ' ' ILE . 12.5 mt -116.5 147.2 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.2 -32.7 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -179.09 160.16 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 36' ' ' THR . 25.9 mt -135.06 112.93 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.8 t0 -100.63 110.85 23.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 64' ' ' ALA . 3.4 tp -110.22 123.16 49.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 12.4 mmtt -77.96 -63.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 41.74 87.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.61 77.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 57.1 162.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.56 64.24 1.33 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.5 -155.14 41.19 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.52 16.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 125.88 9.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 13.8 p90 -123.37 154.67 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.561 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -151.14 164.09 37.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -119.06 112.53 19.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.414 HG13 HG12 ' A' ' 52' ' ' ILE . 13.7 t -91.53 137.74 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -117.77 118.44 32.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.494 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 6.9 m-85 -92.82 156.63 16.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.84 -47.38 69.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.52 155.54 43.63 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ARG . 18.2 Cg_endo -75.05 -48.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PRO . 73.5 mtt180 -38.5 -56.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.41 ' OD2' ' CE1' ' A' ' 68' ' ' PHE . 4.4 t70 -65.63 -49.46 68.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -45.16 -35.08 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mt-10 -80.27 -59.47 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -46.59 -25.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -79.82 -67.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.727 HG23 HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -46.7 -32.51 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 75' ' ' GLU . 11.5 m-30 -68.75 -52.19 33.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -75.86 -68.15 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.847 ' HB3' HG21 ' A' ' 93' ' ' VAL . 4.6 mmm180 -36.75 -39.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -54.57 90.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 108.96 37.34 2.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.423 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 82.8 t80 -91.87 168.29 11.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -124.31 111.99 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -105.67 96.23 6.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.57 28.92 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.34 -33.12 6.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 93.5 m-85 -70.47 109.34 4.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 127.31 32.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.087 HD22 HD23 ' A' ' 30' ' ' LEU . 22.6 mt -98.38 160.99 13.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -131.81 98.66 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.847 HG21 ' HB3' ' A' ' 81' ' ' ARG . 2.8 t -97.48 136.74 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.11 154.55 23.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.553 ' CE2' HG11 ' A' ' 78' ' ' VAL . 2.1 m-85 -76.67 150.36 81.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 123.7 8.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -115.96 116.53 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -98.9 -57.29 2.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 112.85 -136.51 13.52 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 57.19 86.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.282 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -123.85 98.51 0.59 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 102' ' ' THR . 9.1 t -67.93 114.09 6.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.18 84.04 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.67 118.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -117.6 157.22 15.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.88 11.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.25 155.33 40.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 66.71 156.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.31 79.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 110.025 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -149.65 99.55 2.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.143 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.08 93.18 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.32 141.85 51.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.89 150.75 31.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.67 131.7 2.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 mtm -107.02 166.41 10.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 t -178.53 169.84 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.14 -99.28 2.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.73 -139.34 5.77 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.36 146.15 14.26 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.75 126.2 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.9 tt -48.3 -42.81 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -145.84 140.48 27.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.18 156.05 18.02 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 117.01 4.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.527 1.803 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.67 74.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.61 -150.99 20.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 21' ' ' ASN . 63.0 t30 -106.69 122.43 46.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 20' ' ' ASN . 6.9 m120 61.51 128.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.11 124.94 53.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 73.0 m -150.12 31.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.54 129.54 56.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.233 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.691 HG22 ' CD1' ' A' ' 95' ' ' PHE . 15.3 pt -108.3 154.45 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 9.3 t80 -110.5 126.25 54.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.65 134.97 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.76 176.73 18.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.2 m120 53.49 54.86 9.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.0 HD23 HD22 ' A' ' 91' ' ' LEU . 18.9 mt -100.55 159.49 29.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.02 165.62 30.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.32 12.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -110.23 51.52 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.717 ' CG1' HD11 ' A' ' 39' ' ' ILE . 9.3 tp -96.93 156.29 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -130.39 142.81 50.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.729 HG23 ' CG2' ' A' ' 52' ' ' ILE . 90.9 m -58.06 -21.32 45.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.1 mttt -82.12 -61.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 42' ' ' VAL . 54.0 m-20 -44.3 -35.79 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.717 HD11 ' CG1' ' A' ' 34' ' ' ILE . 16.1 mt -76.17 -40.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.573 ' HG3' HD12 ' A' ' 49' ' ' ILE . 1.1 tt0 -60.26 -58.42 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -43.52 -51.89 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 38' ' ' ASP . 25.6 t -43.01 -63.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 54.5 m-85 -65.49 -29.27 69.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' GLU . 4.4 t80 -57.55 -15.97 8.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -12.53 55.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -99.64 -58.57 1.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.19 -126.29 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.7 161.12 27.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.573 HD12 ' HG3' ' A' ' 40' ' ' GLU . 25.3 mt -110.89 139.74 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -86.39 -32.94 20.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.7 t0 179.33 155.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.729 ' CG2' HG23 ' A' ' 36' ' ' THR . 10.6 mt -130.53 119.92 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.9 t0 -103.76 109.12 20.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.576 HD12 ' HB2' ' A' ' 64' ' ' ALA . 3.2 tp -110.53 124.05 51.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -79.44 -65.04 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.09 101.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.36 155.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.22 154.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.27 48.71 0.91 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.2 -160.64 21.44 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 168.96 23.67 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.788 . . . . 0.0 111.066 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.25 11.28 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 6.9 p90 -122.07 151.74 40.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.576 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -151.75 168.04 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 64.2 m-85 -122.47 118.64 28.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.4 t -98.42 127.23 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -108.42 143.18 37.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 62.2 m-85 -115.96 163.02 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -73.58 -25.54 60.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.52 158.43 72.01 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.98 -45.26 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -44.48 -35.12 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -85.69 -41.97 14.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . . . -53.86 -35.32 61.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.88 -55.81 3.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -40.29 -34.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HB1' ' HD1' ' A' ' 43' ' ' PHE . . . -69.66 -65.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.061 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.02 -32.04 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -68.91 -11.48 60.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.19 -69.9 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 6.0 mmp_? -38.53 -48.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 3.6 t0 -40.47 99.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 101.91 40.55 2.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -89.33 167.87 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.92 103.08 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 31' ' ' PRO . 45.9 t80 -98.32 93.74 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.4 t0 53.16 36.85 23.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.04 -38.33 3.19 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -69.43 108.91 3.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 138.9 46.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.0 HD22 HD23 ' A' ' 30' ' ' LEU . 55.4 mt -107.99 154.62 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -125.85 97.76 5.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.061 HG12 HG23 ' A' ' 78' ' ' VAL . 8.1 t -92.91 129.56 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.13 144.75 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.691 ' CD1' HG22 ' A' ' 25' ' ' ILE . 2.5 m-85 -69.54 150.28 96.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -103.05 -57.56 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.1 t 62.81 156.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . 119.33 -170.53 14.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.24 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 99' ' ' GLY . . . 118.0 163.6 12.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t -96.08 141.15 29.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.15 165.73 23.92 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.3 p -117.35 126.1 52.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 144.93 97.47 0.22 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.44 41.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.8 m -128.23 108.44 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 t -153.68 -59.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -175.99 151.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 0.724 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -163.95 166.69 21.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.92 130.24 2.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 p -171.29 141.55 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -131.98 142.5 49.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.15 72.29 0.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.8 mtm -152.04 133.77 14.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 p -133.58 149.54 51.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.48 112.39 0.36 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.85 153.56 24.29 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.4 -151.57 5.92 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' O ' HG23 ' A' ' 13' ' ' VAL . 26.9 m -132.23 101.38 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 tt -70.27 -46.15 72.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -132.46 163.42 28.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -111.98 -168.07 18.05 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.86 15.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.1 94.74 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 109.236 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.13 173.42 17.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.957 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -118.89 93.44 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 t30 179.04 148.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -114.73 147.32 39.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.9 p 177.21 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 108.339 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -83.73 130.09 34.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 13.1 pt -128.14 136.08 61.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -98.82 130.32 45.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 93' ' ' VAL . 22.0 t -108.95 131.85 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.45 173.62 19.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.536 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.1 m120 60.92 46.07 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.937 HD23 HD22 ' A' ' 91' ' ' LEU . 15.7 mt -94.64 159.56 33.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.52 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.5 Cg_endo -75.0 165.42 31.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.21 11.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -105.5 47.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.524 HG12 HD22 ' A' ' 30' ' ' LEU . 9.3 tp -99.57 157.04 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.571 ' O ' HD12 ' A' ' 39' ' ' ILE . 11.6 mmt180 -130.31 -179.69 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 m -88.03 -35.45 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.449 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -49.13 66.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.771 ' O ' HG23 ' A' ' 42' ' ' VAL . 29.7 m-20 -56.9 -42.79 80.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 35' ' ' ARG . 67.5 mt -71.48 -19.3 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HG3' HD12 ' A' ' 49' ' ' ILE . 2.8 tt0 -79.07 -64.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -51.65 -32.3 28.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.6 t -51.27 -62.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.688 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 41.8 m-85 -72.6 -38.72 67.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -44.35 -25.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD3' ' NH1' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -55.64 -19.17 9.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -95.14 -54.18 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.4 -130.19 1.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -120.81 158.47 27.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.714 HD13 HD11 ' A' ' 52' ' ' ILE . 47.7 mt -109.76 149.79 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -35.56 11.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -179.05 154.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.9 HG12 HG13 ' A' ' 66' ' ' VAL . 61.3 mt -133.18 119.56 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -107.68 110.29 22.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 64' ' ' ALA . 4.6 tp -109.66 129.67 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.4 mttt -94.65 -77.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 59.16 167.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' ARG . 9.2 ttm180 75.77 126.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 57' ' ' ARG . 2.3 tmm_? 60.73 143.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 60' ' ' GLY . . . 84.91 -160.58 35.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -59.65 -146.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.97 13.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.2 8.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.781 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 18.3 p90 -123.33 155.29 37.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.788 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -148.45 157.94 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -119.48 108.24 14.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.9 HG13 HG12 ' A' ' 52' ' ' ILE . 3.6 t -93.16 139.03 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -119.81 134.52 55.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 10.0 m-85 -101.66 159.33 15.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.87 -26.91 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.71 159.83 67.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.97 -41.95 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -39.16 -62.03 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' GLU . 0.7 OUTLIER -66.06 -48.17 71.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -40.63 -33.04 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 77' ' ' ALA . 2.2 mt-10 -82.62 -66.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -40.41 -30.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 43' ' ' PHE . . . -74.33 -67.77 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.535 HG23 HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -47.19 -33.11 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -82.9 -30.69 28.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -81.48 -77.56 1.02 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NH2' ' CD2' ' A' ' 84' ' ' TYR . 24.3 mmm180 -39.29 -40.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -50.47 112.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.15 26.95 9.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.601 ' CD2' ' NH2' ' A' ' 81' ' ' ARG . 21.1 t80 -98.24 148.0 24.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.52 116.78 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 82.0 t80 -125.1 128.22 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 t0 59.74 22.74 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.87 -11.92 58.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.04 130.18 36.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.32 135.03 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.937 HD22 HD23 ' A' ' 30' ' ' LEU . 13.0 mt -106.79 163.49 12.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 97.82 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.535 HG12 HG23 ' A' ' 78' ' ' VAL . 32.1 t -94.46 127.29 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -160.01 151.15 19.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CE1' HG22 ' A' ' 25' ' ' ILE . 10.2 m-85 -65.69 148.52 98.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 61.84 5.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.88 86.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.9 p -111.81 -68.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.26 141.64 2.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.22 169.21 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -97.9 -150.94 26.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.6 m -121.7 -62.92 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.29 126.26 4.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.37 123.71 23.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.49 90.82 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.9 p -128.84 159.35 36.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.6 80.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -165.87 -58.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.67 164.83 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.35 -176.78 47.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -132.59 169.74 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.767 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.32 170.31 8.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.06 119.61 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 8' ' ' MET . 3.5 ptt? -137.76 92.0 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 m -99.1 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.973 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.31 154.95 3.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.39 -166.57 27.2 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.63 166.37 16.23 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 13' ' ' VAL . 6.7 p -93.1 113.28 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 tt -77.76 155.34 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 61.38 145.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.46 162.07 33.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -74.98 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.817 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.699 ' HB2' ' HD3' ' A' ' 97' ' ' ARG . . . 67.36 162.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.73 98.59 0.82 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m120 56.71 93.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.237 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -140.78 139.38 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' CYS . 4.5 m-20 -173.86 167.71 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 3.9 m 82.34 -55.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 108.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -84.7 115.73 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.471 HG22 ' CE1' ' A' ' 95' ' ' PHE . 4.6 pt -117.41 153.81 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.534 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 13.2 t80 -110.73 129.43 55.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.587 HG22 HG13 ' A' ' 93' ' ' VAL . 61.3 t -113.69 127.19 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.88 -174.5 13.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.573 ' O ' HD23 ' A' ' 91' ' ' LEU . 8.5 m-20 52.87 52.68 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.528 HD23 HD22 ' A' ' 91' ' ' LEU . 18.3 mt -98.66 159.16 31.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -74.94 167.17 27.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.19 7.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -103.99 48.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.621 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.5 tp -96.0 155.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -130.86 136.97 49.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -51.77 -34.7 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -72.33 -52.53 15.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.4 m-20 -51.59 -38.07 52.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.621 HD11 ' CG1' ' A' ' 34' ' ' ILE . 15.4 mt -73.52 -25.4 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -73.76 -68.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 12.8 t70 -40.95 -29.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.5 t -60.42 -65.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.62 ' HB2' HD11 ' A' ' 49' ' ' ILE . 54.4 m-85 -72.12 -19.26 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -57.68 -16.22 10.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -73.77 -13.22 60.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.563 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 59.4 m-85 -104.21 27.22 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.64 -119.13 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.61 159.61 41.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.62 HD11 ' HB2' ' A' ' 43' ' ' PHE . 58.2 mt -114.05 135.23 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -73.09 -49.9 25.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -170.75 161.01 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 HG13 ' A' ' 66' ' ' VAL . 61.8 mt -132.6 134.67 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.67 102.01 9.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -89.37 113.56 24.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' CB ' ' CE2' ' A' ' 63' ' ' PHE . 1.1 mptt -78.41 -78.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 57' ' ' ARG . 3.0 p30 54.15 170.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 6.9 ttp180 83.88 65.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -174.01 163.5 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.17 87.37 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.2 -168.94 32.04 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.46 42.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.411 ' O ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.03 130.81 13.59 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE2' ' CB ' ' A' ' 55' ' ' LYS . 16.7 p90 -121.12 157.51 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -159.85 160.81 34.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 18.0 m-85 -116.46 127.99 55.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.412 HG13 HG12 ' A' ' 52' ' ' ILE . 25.6 t -102.31 132.62 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -105.89 96.49 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.412 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.7 m-85 -71.79 164.59 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -85.23 -41.36 15.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.97 147.54 42.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.527 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.05 -47.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -39.56 -40.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -84.09 -47.12 11.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -45.09 -32.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 78' ' ' VAL . 5.2 mt-10 -77.17 -70.68 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -41.32 -34.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.69 -53.81 24.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.71 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -65.5 -28.79 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -86.05 -13.87 46.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -100.48 -80.75 1.54 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.472 ' CZ ' HG13 ' A' ' 42' ' ' VAL . 30.7 mmt180 -38.26 -32.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 0.738 . . . . 0.0 110.309 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -44.75 106.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.56 39.81 7.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -88.23 158.32 18.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.38 97.06 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.59 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 28.2 t80 -100.69 100.56 11.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 t0 65.28 16.73 10.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.45 -21.89 27.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.559 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 75.5 m-85 -75.38 134.18 41.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.26 96.97 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 29' ' ' ASN . 44.7 mt -66.19 160.85 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.73 98.34 4.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 78' ' ' VAL . 2.4 t -99.16 130.68 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.99 152.86 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 110.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.625 ' CE2' HG11 ' A' ' 78' ' ' VAL . 6.0 m-85 -72.9 150.45 90.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 80.93 2.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.699 ' HD3' ' HB2' ' A' ' 18' ' ' ALA . 1.5 mtt-85 72.61 103.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.5 p -104.97 144.69 31.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.64 64.05 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.01 118.62 18.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.67 122.61 0.92 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.3 -50.2 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 0.751 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.02 175.91 20.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 89.6 p -164.14 145.97 8.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.952 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -127.41 96.97 0.45 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 152.58 40.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 81.6 p -107.65 166.49 10.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.8 m -117.35 170.54 8.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.46 135.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -122.04 101.76 7.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.31 110.32 0.32 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 p -142.49 -58.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m 65.77 157.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.03 100.09 0.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.42 93.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.3 p -79.57 160.02 26.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.96 -168.74 13.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.4 101.94 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.22 110.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.2 t 51.7 86.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 tt -75.17 162.89 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.0 97.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.09 171.12 44.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 68.04 5.84 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.33 150.48 28.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.08 152.24 46.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.22 158.43 17.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -104.2 119.55 39.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.85 177.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 m 77.77 -58.51 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -88.59 116.62 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 43' ' ' PHE . 5.9 pt -113.55 153.7 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -109.65 133.48 53.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.1 t -113.44 124.41 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.72 171.19 15.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.153 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.823 ' O ' HD23 ' A' ' 91' ' ' LEU . 10.3 m-20 57.71 69.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.005 HD23 HD22 ' A' ' 91' ' ' LEU . 16.1 mt -116.39 161.73 30.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.04 161.46 38.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.18 11.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.47 40.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.707 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.3 tp -91.29 155.59 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -130.06 146.75 51.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 m -63.93 -17.12 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -85.0 -60.3 2.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.969 ' O ' HG23 ' A' ' 42' ' ' VAL . 75.2 m-20 -46.4 -37.93 8.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.707 HD11 ' CG1' ' A' ' 34' ' ' ILE . 34.5 mt -71.94 -36.41 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -59.06 -55.28 37.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' N ' ' HG2' ' A' ' 40' ' ' GLU . 75.0 m-20 -59.43 -44.32 92.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 38' ' ' ASP . 32.1 t -43.24 -52.8 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 25' ' ' ILE . 26.4 m-85 -77.33 -37.1 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -47.88 -22.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 42' ' ' VAL . 6.9 ptpp? -58.32 -17.02 16.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -98.64 -57.02 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.68 -130.21 1.71 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.82 160.67 25.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 43' ' ' PHE . 48.0 mt -117.04 142.62 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -87.92 -38.13 15.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -174.16 158.54 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.8 mt -132.34 134.97 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 82.9 m-20 -121.91 115.73 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.6 tp -116.38 125.02 51.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.551 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 1.0 OUTLIER -77.53 -60.33 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 42.79 90.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 178.08 154.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.16 167.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -48.71 173.61 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.31 170.7 46.6 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.3 Cg_endo -74.97 157.45 42.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.5 Cg_endo -75.02 132.48 15.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.551 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 8.7 p90 -125.15 155.79 39.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.504 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -159.04 165.1 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -117.96 148.0 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.15 124.43 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.82 122.4 44.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.242 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 10.6 m-85 -101.47 156.31 17.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -72.94 -34.11 66.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -128.55 149.11 70.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.91 -45.75 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -42.0 -45.46 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.07 -39.45 33.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -55.56 -26.61 44.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 77' ' ' ALA . 3.9 mt-10 -84.1 -61.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.39 -28.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -79.68 -69.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.636 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -41.56 -33.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -70.51 -56.46 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.56 -63.52 3.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.93 ' HB3' HG21 ' A' ' 93' ' ' VAL . 5.4 mmm180 -38.76 -49.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.97 97.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 109.55 36.75 2.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -101.27 156.82 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 111.016 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -124.65 109.85 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.496 ' HB3' HD11 ' A' ' 91' ' ' LEU . 82.6 t80 -118.99 133.84 55.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 60.73 17.62 7.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.77 -12.34 67.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -91.69 145.08 24.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.91 143.1 28.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.005 HD22 HD23 ' A' ' 30' ' ' LEU . 8.2 mt -120.2 163.74 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -133.8 106.2 7.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.93 HG21 ' HB3' ' A' ' 81' ' ' ARG . 25.5 t -101.23 124.93 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -159.82 157.51 29.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.648 ' CE1' HG22 ' A' ' 25' ' ' ILE . 26.1 m-85 -73.88 150.3 88.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.59 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -60.38 -56.81 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.77 91.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.74 139.63 6.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -168.59 141.75 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -108.92 172.35 16.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.9 m -111.25 -61.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -47.07 137.86 9.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 80.7 p -172.24 78.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -85.91 -167.44 43.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 96.21 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.5 m 58.9 169.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 t -61.27 -60.64 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.459 1.1 . . . . 0.0 111.016 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -172.12 95.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p -165.65 167.48 17.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.59 152.45 7.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.09 169.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.33 170.1 8.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.21 -164.18 26.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.3 mtm -138.29 127.16 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 0.804 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.99 169.38 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.91 -94.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.5 116.87 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.29 42.31 1.4 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.5 50.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 15' ' ' ARG . 15.8 tt -53.27 -52.17 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.437 ' N ' HG23 ' A' ' 14' ' ' ILE . 4.8 ptt180 174.42 152.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.0 146.67 11.49 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.518 1.137 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -57.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.86 175.57 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.13 91.48 1.7 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.11 158.35 44.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 62.45 144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 61.42 108.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 83.4 m -122.99 30.01 6.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.278 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -121.85 122.11 38.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.57 HG21 ' HB ' ' A' ' 78' ' ' VAL . 23.5 pt -97.14 132.63 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.459 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 29.9 t80 -95.55 135.32 37.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -114.75 139.51 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.25 -175.98 14.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 56.3 27.25 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.257 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.972 HD23 HD22 ' A' ' 91' ' ' LEU . 27.2 mt -74.94 158.49 84.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.431 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.5 Cg_endo -74.95 166.45 29.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.72 7.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -104.9 48.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.668 ' CG1' HD11 ' A' ' 39' ' ' ILE . 7.9 tp -94.36 155.32 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -128.86 144.09 51.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.567 HG23 ' CG2' ' A' ' 52' ' ' ILE . 12.2 m -56.98 -26.54 60.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -76.93 -56.62 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.695 ' O ' HG23 ' A' ' 42' ' ' VAL . 39.5 m-20 -47.91 -45.69 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.668 HD11 ' CG1' ' A' ' 34' ' ' ILE . 10.7 mt -66.44 -28.31 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -73.8 -67.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' HA ' ' CB ' ' A' ' 44' ' ' TYR . 28.7 m-20 -44.27 -28.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.6 t -59.25 -61.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.448 ' HD1' ' HB1' ' A' ' 77' ' ' ALA . 56.6 m-85 -78.33 -20.83 50.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.413 ' CB ' ' HA ' ' A' ' 41' ' ' ASP . 12.1 t80 -56.67 -16.3 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HD3' ' NH2' ' A' ' 81' ' ' ARG . 13.7 ptmt -72.87 -17.05 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -95.84 -60.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -143.89 -146.79 4.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.64 144.5 43.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.486 HD13 HD11 ' A' ' 52' ' ' ILE . 56.4 mt -98.78 139.43 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -91.78 -31.81 15.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.6 155.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.567 ' CG2' HG23 ' A' ' 36' ' ' THR . 46.5 mt -131.2 106.83 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -90.96 109.19 20.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.569 HD21 ' OD1' ' A' ' 56' ' ' ASN . 2.2 tp -112.0 125.41 54.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 8.0 mttt -86.93 67.5 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.569 ' OD1' HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -65.55 101.55 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 177.74 148.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 152.66 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.98 85.53 0.68 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.58 -154.82 38.04 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 160.52 39.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.29 9.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 12.7 p90 -122.54 155.43 36.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -156.82 167.27 30.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -124.38 111.96 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 52' ' ' ILE . 81.7 t -90.65 132.46 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.26 138.23 45.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -110.33 146.85 35.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -60.26 -47.35 86.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -110.72 156.24 40.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -49.82 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -42.51 -55.12 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -51.46 68.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.531 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.94 -39.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 77' ' ' ALA . 6.0 mt-10 -76.32 -62.43 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 80' ' ' GLY . 79.2 m-20 -40.43 -30.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HB1' ' HD1' ' A' ' 43' ' ' PHE . . . -75.06 -67.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.781 HG23 HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -46.61 -33.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -85.17 -32.71 22.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -66.46 -65.74 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.649 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 35.5 mmt180 -67.69 -97.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER 41.22 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.08 36.72 6.55 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.649 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 67.9 t80 -80.77 140.78 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -87.25 111.7 21.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -112.3 91.86 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 63.13 21.06 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.39 -23.59 26.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -79.68 117.35 20.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.985 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.75 137.49 39.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.972 HD22 HD23 ' A' ' 30' ' ' LEU . 12.1 mt -110.52 151.72 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.93 105.05 11.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.781 HG12 HG23 ' A' ' 78' ' ' VAL . 3.5 t -103.68 120.21 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -159.92 147.55 16.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CE1' HG22 ' A' ' 25' ' ' ILE . 13.9 m-85 -66.96 147.89 98.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' SER . 18.3 Cg_endo -75.06 74.28 4.09 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 60.89 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 96' ' ' PRO . 5.7 m 73.14 87.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.13 133.73 7.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -81.68 -47.71 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.46 -101.6 1.33 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.3 m 39.46 82.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.423 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -135.63 -157.12 7.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 m -175.75 153.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.04 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.83 155.1 25.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 161.21 39.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -102.43 157.83 16.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.5 p -132.56 168.14 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -159.1 -59.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.013 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.12 169.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.44 131.66 1.31 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.47 140.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -170.01 168.61 8.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.19 145.69 4.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.84 144.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.89 159.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.21 145.27 4.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 130.87 171.44 12.91 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.03 135.34 12.78 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.0 t -118.69 85.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.1 tt -80.13 141.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.22 -27.89 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.9 166.59 4.48 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 74.96 3.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.39 170.28 8.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.67 -121.05 3.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -110.99 -57.93 2.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -156.73 137.35 13.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.237 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.543 ' HB2' ' CD1' ' A' ' 95' ' ' PHE . 1.6 m-20 -137.16 86.04 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 71.7 m -46.31 -32.07 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.34 120.82 31.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.566 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 31.7 pt -106.76 153.7 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 65' ' ' PHE . 63.3 t80 -114.57 131.19 56.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 111.066 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.53 HG22 HG13 ' A' ' 93' ' ' VAL . 41.5 t -110.26 126.13 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.18 -177.78 16.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.627 ' O ' HD23 ' A' ' 91' ' ' LEU . 10.1 m120 50.29 59.53 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.98 HD23 HD22 ' A' ' 91' ' ' LEU . 29.1 mt -104.22 159.5 29.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.455 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.97 165.76 30.67 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.7 11.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -109.4 50.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.487 HG12 HD11 ' A' ' 39' ' ' ILE . 9.2 tp -96.87 156.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -129.23 140.94 51.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.805 HG23 ' CG2' ' A' ' 52' ' ' ILE . 46.6 m -58.12 -26.99 63.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -74.85 -55.15 6.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.828 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.7 m-20 -50.54 -35.29 28.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.487 HD11 HG12 ' A' ' 34' ' ' ILE . 61.2 mt -75.34 -26.7 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.618 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.4 tt0 -71.28 -62.49 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.84 -36.33 58.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.7 t -49.01 -53.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 34.7 m-85 -81.96 -40.89 21.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -38.48 -37.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.71 -30.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -83.6 -54.74 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.21 -130.92 1.73 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.92 164.69 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.529 HD12 ' HG3' ' A' ' 40' ' ' GLU . 39.4 mt -114.27 156.2 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -105.51 -26.72 11.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 t0 174.9 155.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.805 ' CG2' HG23 ' A' ' 36' ' ' THR . 10.5 mt -130.96 121.83 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -105.09 109.79 21.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.547 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.8 tp -113.71 126.94 55.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.3 mttt -92.42 -75.01 0.5 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 0.4 OUTLIER 77.55 -65.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.2 ttt85 -55.99 93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.68 -173.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.11 143.01 20.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.69 -163.84 31.19 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 168.05 25.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.87 15.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 21.0 p90 -129.11 154.4 46.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.81 159.0 36.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 51.0 m-85 -114.13 137.73 51.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.4 122.93 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -94.8 137.79 33.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -112.37 148.19 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.9 -38.11 87.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.27 156.49 63.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -49.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -40.23 -61.63 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.34 -46.91 82.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.538 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -50.15 -28.44 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -88.8 -50.31 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -52.12 -30.46 26.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -76.32 -64.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.839 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -51.63 -32.19 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -65.25 -18.96 65.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.31 -65.36 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 72.6 mmt-85 -39.13 -34.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 0.731 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 98.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.01 35.32 4.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.401 ' CG ' ' N ' ' A' ' 85' ' ' ASP . 66.6 t80 -84.53 165.88 17.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 25.7 t70 -116.92 95.03 4.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -90.5 95.49 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t70 56.43 30.79 17.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.68 -35.07 5.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.556 1.16 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -69.01 114.74 7.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -74.0 132.19 42.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.98 HD22 HD23 ' A' ' 30' ' ' LEU . 50.7 mt -107.08 148.32 28.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.29 97.6 5.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.839 HG12 HG23 ' A' ' 78' ' ' VAL . 2.1 t -97.52 125.78 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -160.08 150.37 18.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.543 ' CD1' ' HB2' ' A' ' 22' ' ' ASP . 32.8 m-85 -70.8 145.73 92.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo -74.96 142.77 28.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -41.79 151.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -149.29 124.44 10.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -41.39 121.38 2.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.602 ' HD3' HG21 ' A' ' 102' ' ' THR . 9.4 ttm180 -112.18 113.93 26.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 0.784 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.54 ' O ' HG22 ' A' ' 102' ' ' THR . . . -72.13 -81.26 0.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.602 HG21 ' HD3' ' A' ' 100' ' ' ARG . 11.7 t 44.08 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 110.418 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 120.79 67.65 0.27 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.8 p -99.88 155.28 17.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.963 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.01 149.88 16.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.88 42.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.04 134.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m -118.68 158.94 24.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.88 92.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -42.01 108.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.96 -94.61 0.65 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -174.22 168.28 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.12 144.96 25.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.73 -155.72 31.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 53.1 86.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.51 149.6 39.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.18 104.14 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -104.5 -116.34 4.2 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.97 167.8 25.02 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 13' ' ' VAL . 2.5 p -158.89 59.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 pt -62.37 175.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 62.59 117.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.253 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.21 179.84 48.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.55 29.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.28 155.6 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.32 163.16 15.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -107.97 92.2 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -171.28 93.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -151.65 130.74 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.4 m -109.13 34.56 3.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -123.79 118.91 28.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.543 ' CD1' ' CE1' ' A' ' 43' ' ' PHE . 6.9 pt -113.62 128.83 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -88.86 131.49 35.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.0 t -109.89 131.7 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.33 179.61 16.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.663 ' O ' HD23 ' A' ' 91' ' ' LEU . 4.1 m120 54.47 58.05 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.664 HD23 HD22 ' A' ' 91' ' ' LEU . 14.4 mt -108.83 158.91 32.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.477 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.05 165.68 30.73 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.447 1.761 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -28.34 9.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -104.82 47.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.551 HG12 HD22 ' A' ' 30' ' ' LEU . 8.6 tp -96.56 155.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -128.42 148.65 50.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.776 HG23 ' CG2' ' A' ' 52' ' ' ILE . 59.5 m -64.33 -19.76 65.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -80.96 -57.28 3.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.718 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.4 m-20 -48.24 -38.49 18.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.444 HD11 HG12 ' A' ' 34' ' ' ILE . 49.8 mt -72.22 -33.22 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 37' ' ' LYS . 1.7 tt0 -63.18 -65.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 2.7 t70 -40.24 -49.36 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 38' ' ' ASP . 55.7 t -43.25 -66.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.638 ' HD1' ' HB1' ' A' ' 77' ' ' ALA . 50.8 m-85 -66.84 -50.91 61.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -42.58 -27.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -53.09 -20.89 4.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.541 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 70.2 m-85 -96.33 -54.37 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.47 -140.57 3.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.58 148.87 43.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.423 HG22 ' H ' ' A' ' 51' ' ' ASP . 23.2 mt -103.21 146.25 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -28.25 17.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.423 ' H ' HG22 ' A' ' 49' ' ' ILE . 9.8 t70 177.86 154.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.776 ' CG2' HG23 ' A' ' 36' ' ' THR . 35.2 mt -128.55 122.53 57.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -105.19 112.9 26.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.8 tp -113.94 123.79 50.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 11.4 mttt -94.48 96.95 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -95.54 143.37 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.33 101.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.97 -63.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.24 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 169.07 176.59 39.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 39.84 -154.97 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.33 41.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.37 11.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 22.8 p90 -123.71 156.54 35.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.54 162.34 38.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -117.66 146.11 43.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.15 129.86 73.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -107.52 110.23 22.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.25 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.72 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 23.3 m-85 -87.73 156.76 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -73.35 -17.98 61.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.1 151.11 40.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.86 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -48.37 -45.33 35.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.5 m-20 -74.84 -55.13 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.72 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.33 -38.05 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -74.21 -48.16 30.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 73' ' ' ASP . 31.9 m-20 -51.03 -32.29 21.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.638 ' HB1' ' HD1' ' A' ' 43' ' ' PHE . . . -74.25 -63.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.091 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.04 -31.93 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -66.57 -11.63 53.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -125.27 -67.11 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.631 ' N ' ' HE ' ' A' ' 81' ' ' ARG . 1.2 mmp_? -40.01 -29.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' GLY . 2.5 t0 -65.46 102.28 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.58 32.32 5.18 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -90.5 144.96 25.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.47 94.56 5.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -88.32 100.1 12.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t70 60.78 26.54 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.09 -29.8 11.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -73.71 109.53 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.11 104.18 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.664 HD22 HD23 ' A' ' 30' ' ' LEU . 62.7 mt -70.55 167.88 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -139.26 99.47 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.091 HG12 HG23 ' A' ' 78' ' ' VAL . 7.9 t -99.79 126.78 53.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -159.87 147.8 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.506 ' CE2' HG11 ' A' ' 78' ' ' VAL . 40.3 m-85 -68.73 150.19 97.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 76.44 3.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.88 123.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.31 97.5 3.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.48 144.94 22.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -97.5 103.29 15.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.49 73.58 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.9 t -112.12 -25.8 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.24 175.61 46.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.1 m -132.04 149.63 52.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.03 162.15 18.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -48.13 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 92.4 p -166.6 159.94 14.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.998 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.8 t -160.56 98.51 1.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 111.048 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.63 110.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.84 165.53 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.46 62.04 0.22 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.15 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t 64.02 164.62 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -88.3 -56.74 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.045 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.58 128.92 5.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.55 159.1 43.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.44 160.68 43.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.71 166.87 36.9 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.92 -164.13 34.59 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.08 -127.23 2.02 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -91.85 50.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.1 pt -99.08 29.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -128.06 152.51 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.91 -145.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 177.43 8.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.11 162.43 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.19 171.66 52.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 172.77 -59.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -117.6 145.29 44.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 54.1 m-20 -117.09 100.1 7.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 67.9 m -108.32 -18.61 13.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 108.321 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -102.84 135.24 44.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.444 HG22 ' CE1' ' A' ' 95' ' ' PHE . 21.4 pt -126.19 156.66 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -112.81 131.32 55.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 t -116.3 125.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.72 -176.38 14.46 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 60.64 28.33 18.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.674 HD23 HD22 ' A' ' 91' ' ' LEU . 7.1 mt -78.23 158.52 76.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.473 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -75.02 167.65 26.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -29.79 7.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -104.36 49.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.473 HD13 ' CG ' ' A' ' 31' ' ' PRO . 9.3 tp -98.07 156.49 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.09 152.79 48.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.738 HG23 ' CG2' ' A' ' 52' ' ' ILE . 95.9 m -65.26 -22.89 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -80.85 -54.03 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.603 ' O ' HG23 ' A' ' 42' ' ' VAL . 44.2 m-20 -49.25 -39.36 30.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mt -71.66 -28.74 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.6 tt0 -70.86 -68.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -42.57 -41.2 2.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 38' ' ' ASP . 3.1 t -50.03 -65.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 27.8 m-85 -66.52 -38.42 87.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -45.63 -24.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -19.51 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -95.17 -55.45 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.06 -130.21 1.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.48 162.82 24.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 0.781 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.486 HG21 ' CG1' ' A' ' 52' ' ' ILE . 31.8 mt -115.27 145.68 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.08 -40.05 11.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -169.42 152.8 4.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.738 ' CG2' HG23 ' A' ' 36' ' ' THR . 32.1 mt -129.74 135.17 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 8.6 m-20 -123.6 114.17 19.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -115.41 123.39 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.561 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 2.5 mptt -89.38 63.41 6.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -43.26 -71.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.1 ttp85 -55.87 103.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.47 167.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.52 -163.37 33.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.15 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.0 -155.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.3 Cg_endo -75.03 154.72 42.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.4 Cg_endo -74.95 126.21 9.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 17.5 p90 -119.01 155.22 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.96 163.16 38.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -117.19 149.61 40.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -125.38 127.65 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -109.28 121.5 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 m-85 -94.71 165.57 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -78.55 -35.08 46.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.39 158.99 56.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -47.74 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -43.23 -58.81 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -58.38 -47.18 84.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -51.42 -25.91 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.74 -55.5 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -51.46 -30.31 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.46 -62.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.1 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -58.59 -31.92 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -63.73 -11.57 27.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -121.72 -69.43 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.633 ' N ' ' HE ' ' A' ' 81' ' ' ARG . 1.4 mmp_? -39.6 -29.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 11.9 t0 -63.67 92.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.22 8.39 14.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.404 ' HD2' HD12 ' A' ' 91' ' ' LEU . 8.4 t80 -64.11 163.94 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -127.7 112.65 15.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.521 ' CB ' HD11 ' A' ' 91' ' ' LEU . 41.6 t80 -132.66 127.34 34.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.3 t0 67.09 18.69 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.78 7.5 85.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -107.36 135.76 48.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 91.33 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.674 HD22 HD23 ' A' ' 30' ' ' LEU . 8.7 mt -56.7 152.75 11.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.87 106.91 10.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 1.1 HG12 HG23 ' A' ' 78' ' ' VAL . 4.5 t -106.65 128.29 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.99 154.32 23.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CE2' HG11 ' A' ' 78' ' ' VAL . 29.2 m-85 -78.77 150.38 75.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 93.18 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -104.64 123.03 46.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.234 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -56.86 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.983 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.92 -164.34 28.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -69.53 147.9 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -115.83 -81.2 0.9 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.5 m 57.9 71.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 110.414 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -111.04 126.18 7.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 p 178.86 158.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.024 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.19 -115.06 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 148.67 35.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.7 m -130.41 92.86 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.72 151.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -116.28 152.02 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -158.65 135.43 9.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.025 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.82 -74.12 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.94 140.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -84.77 120.04 25.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.74 90.64 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.89 155.27 1.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.12 139.94 4.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.98 -169.21 2.87 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.52 144.57 16.03 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.28 129.4 4.83 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 14' ' ' ILE . 2.5 p -150.08 132.15 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.425 ' CG1' ' O ' ' A' ' 13' ' ' VAL . 29.0 pt 46.94 -161.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -44.89 124.27 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.55 157.63 51.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 174.21 13.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.63 -58.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.06 76.26 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.12 -53.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -148.18 -55.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 62.65 99.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 71' ' ' PRO . 72.1 m -127.67 34.5 4.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -119.63 125.73 49.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.492 HG22 ' CE1' ' A' ' 95' ' ' PHE . 22.7 pt -125.22 160.36 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 69.7 t80 -120.17 128.75 53.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.5 t -108.7 117.66 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.74 178.33 18.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.664 ' O ' HD23 ' A' ' 91' ' ' LEU . 3.1 t30 52.35 73.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.25 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.825 HD23 HD22 ' A' ' 91' ' ' LEU . 12.3 mt -117.0 159.83 39.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.99 167.08 27.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -29.44 8.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -104.79 49.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.501 HG12 HD22 ' A' ' 30' ' ' LEU . 9.6 tp -96.86 156.6 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -131.62 143.16 50.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.463 ' CG2' ' CG2' ' A' ' 52' ' ' ILE . 2.3 m -55.26 -42.33 73.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -63.35 -54.2 40.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.09 -42.11 37.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.432 HD11 ' CG1' ' A' ' 34' ' ' ILE . 45.8 mt -69.61 -27.52 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.579 ' HG3' HD12 ' A' ' 49' ' ' ILE . 3.3 tt0 -73.18 -65.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -42.53 -49.54 5.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -43.5 -65.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.554 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 27.4 m-85 -65.09 -31.67 72.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -53.46 -18.92 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HD2' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -56.17 -18.82 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.555 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 45.4 m-85 -96.77 -55.36 2.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.62 -136.84 2.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.27 147.56 46.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.579 HD12 ' HG3' ' A' ' 40' ' ' GLU . 15.0 mt -96.76 145.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -30.03 21.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.1 t70 177.63 160.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.538 HD11 HD13 ' A' ' 49' ' ' ILE . 35.7 mt -134.44 136.39 52.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -115.11 101.06 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -95.72 118.26 32.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' CB ' ' CE2' ' A' ' 63' ' ' PHE . 11.5 mmtt -83.14 -89.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 63.35 97.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.2 ttp85 178.94 70.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 60.58 156.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.52 47.36 2.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.77 -154.76 21.78 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 126.58 10.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.476 ' CE2' ' CB ' ' A' ' 55' ' ' LYS . 17.4 p90 -119.93 154.88 33.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -158.77 158.26 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 51.0 m-85 -112.62 149.86 32.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.34 129.92 74.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -109.75 101.94 10.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.654 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 9.3 m-85 -74.53 161.76 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -79.5 -17.64 53.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -141.51 154.25 66.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 18.4 Cg_endo -74.96 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PRO . 71.6 mtt180 -38.2 -58.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -59.51 -59.1 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -42.55 -34.19 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 3.8 mt-10 -78.08 -55.24 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.11 -19.79 14.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.33 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.588 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -43.25 -34.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 75' ' ' GLU . 17.0 m-85 -77.68 -44.73 27.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.59 -73.47 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.554 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 6.0 mmp_? -39.18 -41.99 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.351 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.81 96.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 104.39 32.5 4.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' ARG . 72.0 t80 -77.52 164.42 25.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.784 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -122.74 99.95 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.484 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 24.2 t80 -97.82 93.22 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.8 t0 53.05 37.69 25.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.74 -39.23 2.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -68.24 105.95 2.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.517 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 19.7 mtm180 -73.04 133.11 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 110.298 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.825 HD22 HD23 ' A' ' 30' ' ' LEU . 36.0 mt -101.52 147.68 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.8 97.65 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 HG23 ' A' ' 78' ' ' VAL . 4.3 t -95.75 132.4 40.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -160.21 151.56 19.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.588 ' CE2' HG11 ' A' ' 78' ' ' VAL . 6.2 m-85 -70.38 150.32 95.77 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 68.46 5.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 60.02 87.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -62.47 1.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.86 122.99 4.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.3 114.73 23.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -110.02 175.33 18.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.2 t -137.79 125.29 22.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 172.44 113.56 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.098 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.05 168.25 12.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.964 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.17 73.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -54.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.31 168.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.6 t -137.2 -58.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.019 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 11.3 pt -126.42 136.88 59.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 41.7 t80 -97.92 131.55 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.496 HG12 HD11 ' A' ' 30' ' ' LEU . 59.8 t -111.6 125.65 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.1 179.94 15.96 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.611 ' O ' HD23 ' A' ' 91' ' ' LEU . 3.1 m-20 57.34 46.98 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.73 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.792 HD23 HD22 ' A' ' 91' ' ' LEU . 16.7 mt -100.24 160.05 28.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.537 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.05 163.06 35.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.01 10.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -102.84 45.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.537 HD13 ' HG2' ' A' ' 31' ' ' PRO . 8.7 tp -98.76 156.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -129.82 153.39 48.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 m -66.58 -22.97 66.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -72.8 -56.8 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.8 ' O ' HG23 ' A' ' 42' ' ' VAL . 27.3 m-20 -47.11 -45.08 21.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.7 mt -66.64 -31.18 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.519 ' HA ' HD13 ' A' ' 49' ' ' ILE . 1.2 tt0 -69.08 -57.88 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.17 -14.41 37.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.7 t -77.83 -65.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 47.1 m-85 -72.47 -13.07 61.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.48 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.2 t80 -63.89 -26.82 68.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -64.2 -19.41 65.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -98.59 27.14 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.51 -114.78 2.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -146.98 169.01 20.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 40' ' ' GLU . 7.7 mt -120.7 145.84 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.82 -42.69 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -170.41 144.84 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.512 ' CG1' HG21 ' A' ' 49' ' ' ILE . 11.0 mt -122.68 129.56 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -116.29 114.54 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.605 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -116.69 123.54 47.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 3.0 mptt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.23 18.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.822 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.533 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 2.7 p90 -128.68 151.7 49.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -156.49 158.89 38.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -116.04 136.7 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 t -111.43 123.39 67.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.86 109.13 20.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.59 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 8.9 m-85 -82.88 169.34 16.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -81.43 -36.1 29.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -126.33 151.2 72.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -49.08 -33.66 12.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.76 -50.08 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.59 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -45.65 -33.73 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 41.9 mt-10 -80.99 -44.1 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.06 -31.55 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.31 -63.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.955 HG23 ' CG1' ' A' ' 93' ' ' VAL . 0.6 OUTLIER -55.45 -33.77 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.444 ' CD1' ' O ' ' A' ' 75' ' ' GLU . 2.4 m-30 -58.09 -18.08 22.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.8 -64.87 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HB3' HG21 ' A' ' 93' ' ' VAL . 33.8 mmt180 -40.07 -31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 16.8 t0 -62.97 93.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.5 20.85 6.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.44 ' HD2' HD12 ' A' ' 91' ' ' LEU . 19.5 t80 -82.71 153.53 25.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.06 113.01 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -121.46 128.58 52.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 61.99 21.01 12.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.94 -16.34 57.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.93 137.34 32.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.59 143.07 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.792 HD22 HD23 ' A' ' 30' ' ' LEU . 38.5 mt -112.96 148.0 35.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -121.29 99.57 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.955 ' CG1' HG23 ' A' ' 78' ' ' VAL . 3.5 t -96.98 126.81 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.03 153.77 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -76.02 150.3 83.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.624 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 38.5 pt -102.7 147.1 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.8 t80 -111.02 129.0 56.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.74 133.32 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.88 178.48 18.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 61.43 31.48 19.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.891 HD23 HD22 ' A' ' 91' ' ' LEU . 17.2 mt -80.02 159.94 69.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.452 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.98 166.54 29.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.804 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -28.27 9.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -106.67 50.12 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 9.0 tp -96.4 156.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -130.87 137.34 49.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -49.66 -47.48 50.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -55.09 -56.26 21.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' VAL . 6.9 m-20 -49.88 -38.75 36.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 mt -73.07 -26.74 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 49' ' ' ILE . 2.1 tt0 -73.38 -67.62 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 8.6 t70 -42.06 -41.1 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 38' ' ' ASP . 3.2 t -46.9 -65.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.624 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 46.2 m-85 -70.67 -31.71 68.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.54 -18.88 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -63.23 -13.58 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -100.13 -57.12 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.05 -128.92 1.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.33 162.43 21.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.557 HD12 ' HG3' ' A' ' 40' ' ' GLU . 33.5 mt -114.91 141.09 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -42.6 13.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.7 152.17 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 11.6 mt -127.72 115.95 41.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -103.82 110.57 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -114.42 124.37 51.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 126.14 9.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 10.6 p90 -125.06 154.25 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.512 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -152.5 161.53 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -117.69 108.89 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.5 126.62 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -99.3 142.88 30.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -117.82 148.83 41.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.98 -38.66 91.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.86 156.55 65.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.05 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 -39.03 -56.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.16 -52.01 64.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -43.46 -30.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.01 -63.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -40.74 -33.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HB1' ' CD2' ' A' ' 43' ' ' PHE . . . -69.35 -66.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.982 HG23 HG12 ' A' ' 93' ' ' VAL . 0.7 OUTLIER -52.41 -33.36 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -65.99 -14.98 62.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.92 -68.3 0.27 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 6.1 mmp_? -38.86 -32.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 2.8 t70 -57.83 99.86 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.16 40.43 3.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -91.08 150.51 21.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -96.75 101.44 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.502 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 26.4 t80 -103.99 106.71 17.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t0 53.71 28.18 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.96 -36.9 3.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -64.58 151.77 43.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -105.0 130.06 53.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.891 HD22 HD23 ' A' ' 30' ' ' LEU . 20.1 mt -103.56 153.48 20.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -124.45 100.2 6.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.982 HG12 HG23 ' A' ' 78' ' ' VAL . 4.3 t -97.76 123.08 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.98 151.78 20.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CE2' HG11 ' A' ' 78' ' ' VAL . 59.3 m-85 -74.54 148.43 85.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 8.0 ptp180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.613 HG22 ' CE1' ' A' ' 95' ' ' PHE . 9.2 pt -108.18 160.29 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -121.35 137.43 54.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 93' ' ' VAL . 37.4 t -118.01 127.85 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.0 -175.21 14.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.425 1.078 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 90' ' ' ARG . 8.0 t-20 59.08 17.21 5.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.7 HD22 HG12 ' A' ' 34' ' ' ILE . 10.4 mt -65.68 158.86 72.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.476 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.99 166.85 28.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -28.13 9.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -107.06 50.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.7 HG12 HD22 ' A' ' 30' ' ' LEU . 9.5 tp -97.23 156.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -130.83 143.26 50.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.508 ' CG2' ' CG2' ' A' ' 52' ' ' ILE . 1.9 m -53.59 -44.1 69.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -62.48 -52.9 61.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.809 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.7 m-20 -50.02 -41.8 48.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.5 mt -70.07 -26.57 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.8 tt0 -74.18 -64.3 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -51.55 -22.18 3.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.7 t -67.0 -52.76 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE2' HD11 ' A' ' 25' ' ' ILE . 27.8 m-85 -82.33 -21.35 36.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -58.99 -14.82 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -13.79 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -99.8 -60.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.35 -128.12 1.81 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.76 164.76 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.429 HG21 HG13 ' A' ' 52' ' ' ILE . 17.9 mt -116.83 145.05 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -36.07 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -175.35 157.01 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.508 ' CG2' ' CG2' ' A' ' 36' ' ' THR . 34.4 mt -131.05 129.47 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -118.34 111.3 18.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 3.2 tp -113.52 127.33 56.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.7 mmmt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.3 Cg_endo -75.01 138.78 23.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 55' ' ' LYS . 35.9 p90 -127.82 156.55 42.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.479 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -159.58 166.55 30.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -118.98 144.18 46.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.35 122.08 68.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.14 115.05 29.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.737 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 6.2 m-85 -90.78 161.79 15.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -78.24 -43.44 28.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.04 150.83 44.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.96 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -48.14 -47.76 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.85 -57.56 3.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.737 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.43 -33.63 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -80.86 -67.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -40.33 -32.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.15 -62.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.046 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -55.16 -32.44 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -73.41 -11.56 60.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -108.52 -76.49 0.94 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.569 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 30.4 mmt180 -38.74 -37.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.9 OUTLIER -43.41 98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 97.87 38.54 4.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 43.4 t80 -85.02 170.24 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.735 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 2.9 t70 -122.97 99.65 6.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -99.11 96.34 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.3 t0 55.7 32.21 18.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.41 -35.12 5.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.476 ' CG ' ' HB3' ' A' ' 31' ' ' PRO . 98.6 m-85 -70.47 108.32 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -73.58 127.68 33.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.555 HD22 HD23 ' A' ' 30' ' ' LEU . 12.0 mt -96.49 151.47 19.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -121.73 97.84 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.046 HG12 HG23 ' A' ' 78' ' ' VAL . 2.7 t -95.96 126.43 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -159.9 148.37 17.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.613 ' CE1' HG22 ' A' ' 25' ' ' ILE . 16.5 m-85 -70.08 150.19 96.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.785 HG22 ' CE1' ' A' ' 95' ' ' PHE . 12.0 pt -132.46 136.28 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 57.1 t80 -94.97 130.5 41.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.427 HG22 HG13 ' A' ' 93' ' ' VAL . 67.3 t -111.51 124.46 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.3 177.49 16.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.843 ' O ' HD23 ' A' ' 91' ' ' LEU . 34.6 m-20 56.11 62.92 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.056 HD23 HD22 ' A' ' 91' ' ' LEU . 20.0 mt -113.0 160.39 31.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.494 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 162.19 37.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.37 10.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.14 32.2 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.494 HD13 ' HG2' ' A' ' 31' ' ' PRO . 9.1 tp -86.5 156.46 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -128.47 159.21 36.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m -72.1 -33.74 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' GLU . 1.4 tptt -73.88 -51.9 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.878 ' O ' HG23 ' A' ' 42' ' ' VAL . 62.4 m-20 -47.89 -44.81 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.3 mt -66.79 -29.14 45.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.1 tt0 -72.97 -51.36 18.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.29 -21.5 59.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 38' ' ' ASP . 39.3 t -70.02 -66.01 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 51.3 m-85 -66.2 -31.33 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.455 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -50.67 -25.58 4.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -57.05 -18.31 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 62.3 m-85 -99.31 -57.83 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.36 -138.55 3.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.75 151.03 47.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.621 HG21 HG13 ' A' ' 52' ' ' ILE . 3.6 mt -99.8 148.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -29.72 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 178.35 144.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.621 HG13 HG21 ' A' ' 49' ' ' ILE . 11.8 mt -122.76 124.58 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -109.45 111.67 23.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 1.7 tp -110.92 123.94 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mttt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.98 10.33 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 11.7 p90 -121.51 154.15 37.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -158.95 157.23 30.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 6.5 m-85 -114.49 138.25 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -110.9 131.09 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -107.11 102.77 12.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.551 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 9.2 m-85 -76.88 164.47 25.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -79.03 -42.44 26.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.07 153.75 57.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.433 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.05 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -44.64 -45.1 9.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.64 -47.18 19.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -50.13 -27.24 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -89.59 -48.44 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -53.92 -31.24 49.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.88 -63.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.97 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -57.03 -32.85 41.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -59.93 -13.93 13.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.93 -68.94 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.62 ' HB3' HG21 ' A' ' 93' ' ' VAL . 26.6 mmt180 -38.69 -38.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 17.1 t0 -54.15 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 114.13 25.75 4.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -89.28 163.69 15.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -127.5 108.69 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.419 ' HB3' HD11 ' A' ' 91' ' ' LEU . 89.3 t80 -113.32 134.4 54.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t0 59.01 20.99 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.14 -17.42 53.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.45 134.68 33.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.79 143.88 34.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.056 HD22 HD23 ' A' ' 30' ' ' LEU . 7.8 mt -117.98 158.91 24.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.05 102.17 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.97 HG12 HG23 ' A' ' 78' ' ' VAL . 5.8 t -97.56 123.81 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.06 155.19 24.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.785 ' CE1' HG22 ' A' ' 25' ' ' ILE . 67.3 m-85 -77.31 148.33 77.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.526 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 19.2 pt -124.92 140.47 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 56.6 t80 -100.7 126.23 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.0 t -111.44 116.33 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.67 -179.16 19.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.702 ' O ' HD23 ' A' ' 91' ' ' LEU . 8.6 m-20 52.54 64.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.008 HD23 HD22 ' A' ' 91' ' ' LEU . 14.6 mt -112.11 158.55 36.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.528 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.99 164.69 32.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.09 11.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -104.78 47.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 31' ' ' PRO . 8.6 tp -100.76 156.29 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -131.64 157.32 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -66.96 -40.13 87.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' GLU . 6.3 mttm -61.52 -58.66 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.82 ' O ' HG23 ' A' ' 42' ' ' VAL . 69.0 m-20 -45.83 -46.82 15.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.7 -32.79 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.534 ' HG3' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -68.99 -64.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 7.0 t0 -51.22 -30.17 16.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.6 t -57.39 -64.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.526 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 28.7 m-85 -66.74 -27.78 67.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -52.7 -19.53 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HG2' ' NH2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -61.46 -15.61 39.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -98.7 -57.98 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.72 -126.62 1.65 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.46 164.54 20.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.59 HG21 HD11 ' A' ' 52' ' ' ILE . 54.9 mt -118.71 138.19 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -52.25 5.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -159.32 156.74 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 49' ' ' ILE . 59.5 mt -135.34 138.56 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 5.4 t0 -126.68 116.14 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.513 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -115.71 123.38 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.3 Cg_endo -75.07 133.33 16.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 18.3 p90 -130.07 154.83 47.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.513 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -155.36 167.16 31.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 13.4 m-85 -120.38 148.36 43.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.534 HG13 HG12 ' A' ' 52' ' ' ILE . 6.1 t -127.34 126.7 68.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.83 113.31 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.546 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 6.1 m-85 -84.81 161.65 19.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -74.43 -41.6 60.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.46 154.06 56.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.98 -43.3 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -41.82 -45.16 3.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.1 -52.79 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.46 -37.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.0 mt-10 -75.22 -69.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' GLY . 7.8 m-20 -40.29 -33.97 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.5 -59.95 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.675 HG23 HG12 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -56.38 -29.18 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -86.05 -29.16 23.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -82.73 -78.1 1.06 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.535 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 26.8 mmt180 -38.8 -40.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER -39.81 98.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 100.45 39.93 3.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 59.0 t80 -92.34 152.64 19.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 0.811 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.458 ' OD1' ' CA ' ' A' ' 88' ' ' GLY . 52.5 t0 -108.32 103.66 12.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -100.04 96.94 7.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 58.23 25.18 12.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.458 ' CA ' ' OD1' ' A' ' 85' ' ' ASP . . . 106.19 -28.0 15.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -76.48 109.04 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -75.2 124.17 26.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.008 HD22 HD23 ' A' ' 30' ' ' LEU . 17.5 mt -94.81 164.31 12.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -131.41 97.69 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.675 HG12 HG23 ' A' ' 78' ' ' VAL . 9.8 t -94.38 129.81 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -159.96 150.24 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CE2' HG11 ' A' ' 78' ' ' VAL . 2.0 m-85 -72.05 150.12 92.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.03 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.68 HG22 ' CE1' ' A' ' 95' ' ' PHE . 8.5 pt -118.88 141.58 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 79.8 t80 -97.19 126.39 42.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.533 HG12 HD11 ' A' ' 30' ' ' LEU . 85.6 t -107.9 108.1 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.27 169.81 15.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.512 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.4 m-20 59.84 74.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.96 HD23 HD22 ' A' ' 91' ' ' LEU . 19.1 mt -125.54 161.66 49.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.98 160.35 40.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -25.17 12.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.15 25.34 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.71 HG12 HD11 ' A' ' 39' ' ' ILE . 7.4 tp -84.01 155.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.2 mtt-85 -131.36 178.73 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -86.55 -32.36 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -49.52 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.671 ' O ' HG23 ' A' ' 42' ' ' VAL . 86.4 m-20 -56.33 -49.02 75.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.71 HD11 HG12 ' A' ' 34' ' ' ILE . 87.6 mt -66.74 -17.54 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -81.81 -66.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.317 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 76.6 m-20 -55.84 -25.08 40.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.2 t -61.24 -62.79 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.403 ' N ' HG12 ' A' ' 42' ' ' VAL . 25.3 m-85 -67.93 -26.32 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -54.52 -18.23 4.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -61.12 -15.08 29.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.438 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 42.2 m-85 -99.32 -53.25 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.55 -129.57 1.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.43 160.78 26.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.49 HD13 HD11 ' A' ' 52' ' ' ILE . 39.3 mt -117.16 144.74 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -32.07 15.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -179.56 161.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.572 HG12 HG13 ' A' ' 66' ' ' VAL . 49.9 mt -136.28 116.72 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -103.46 107.07 17.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.2 tp -108.03 121.27 44.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 7.5 mmtt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.07 11.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 6.6 p90 -123.36 152.42 41.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.577 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -153.24 161.5 42.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 8.9 m-85 -120.64 112.49 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.572 HG13 HG12 ' A' ' 52' ' ' ILE . 13.4 t -90.06 136.99 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.14 117.46 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.614 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 14.6 m-85 -90.0 167.42 12.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.18 -40.31 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.82 154.62 48.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -45.91 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -43.25 -52.02 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -57.17 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.614 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.72 -37.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 78' ' ' VAL . 2.9 mt-10 -75.44 -70.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -40.78 -32.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -69.41 -59.88 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.591 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -56.82 -30.97 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -85.8 -14.1 46.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -96.45 -81.19 1.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HB3' HG21 ' A' ' 93' ' ' VAL . 29.0 mmt180 -38.76 -32.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -47.23 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.92 23.31 6.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ARG . 8.4 t80 -78.89 138.93 38.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.52 100.55 10.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.569 ' HB3' HD11 ' A' ' 91' ' ' LEU . 38.5 t80 -118.83 128.35 54.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 t0 67.51 20.69 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.55 2.38 90.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -105.23 147.11 28.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.29 100.11 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.96 HD22 HD23 ' A' ' 30' ' ' LEU . 22.9 mt -69.11 158.2 35.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -127.94 111.7 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 78' ' ' VAL . 45.5 t -106.63 127.96 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -160.11 155.98 26.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.68 ' CE1' HG22 ' A' ' 25' ' ' ILE . 11.1 m-85 -72.12 148.17 91.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 110.975 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.497 ' CD1' ' CE1' ' A' ' 43' ' ' PHE . 21.5 pt -116.52 141.17 35.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -102.12 132.93 47.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.3 135.46 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.28 173.71 20.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.53 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.1 m-80 58.42 57.02 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.763 HD23 ' CD2' ' A' ' 91' ' ' LEU . 11.6 mt -104.44 160.96 24.31 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.445 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.03 164.58 33.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -25.42 11.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.38 51.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.566 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.7 tp -95.3 155.98 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.82 134.48 49.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.591 HG23 ' CG2' ' A' ' 52' ' ' ILE . 23.3 m -52.3 -34.72 48.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -69.56 -56.25 7.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.73 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.4 m-20 -48.49 -36.61 15.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.566 HD11 ' CG1' ' A' ' 34' ' ' ILE . 43.5 mt -73.53 -32.35 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' LYS . 2.4 tt0 -64.49 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -41.25 -48.33 3.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 38' ' ' ASP . 46.9 t -43.21 -66.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.622 ' HB2' HD11 ' A' ' 49' ' ' ILE . 46.5 m-85 -66.35 -34.74 78.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.057 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -52.55 -19.5 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -15.64 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -99.51 -57.59 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.9 -127.3 1.4 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.04 162.45 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.622 HD11 ' HB2' ' A' ' 43' ' ' PHE . 58.5 mt -116.94 134.02 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -44.38 51.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -172.74 157.48 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.591 ' CG2' HG23 ' A' ' 36' ' ' THR . 27.4 mt -128.87 111.0 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.5 m-20 -98.4 110.89 23.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' A' ' 64' ' ' ALA . 2.0 tp -113.0 125.15 54.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.84 10.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 14.8 p90 -121.75 156.4 33.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -156.27 160.63 39.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -116.3 111.42 20.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.2 t -90.08 128.88 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -107.71 141.34 39.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 11.2 m-85 -114.03 160.01 19.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -75.8 -33.62 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -124.27 152.08 67.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.49 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.479 1.779 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -42.0 -63.03 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.5 OUTLIER -56.4 -53.96 51.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -42.09 -32.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' A' ' 79' ' ' TYR . 3.5 mt-10 -81.65 -43.0 19.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . 5.7 m-20 -62.57 -33.66 75.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -68.98 -56.06 8.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.02 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -62.9 -30.75 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 3.7 m-30 -67.01 -16.71 64.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -120.22 -68.35 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 6.3 mmp_? -38.31 -30.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.5 t70 -61.66 94.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.29 35.56 2.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -90.2 145.32 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.13 96.2 6.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -89.63 101.42 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 t70 54.15 35.41 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.92 -37.37 3.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -69.7 105.26 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 114.42 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.763 ' CD2' HD23 ' A' ' 30' ' ' LEU . 41.2 mt -80.96 162.29 23.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.01 99.11 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.02 HG12 HG23 ' A' ' 78' ' ' VAL . 4.8 t -96.56 130.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.54 154.33 22.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.63 ' CE2' HG11 ' A' ' 78' ' ' VAL . 21.0 m-85 -78.42 150.19 76.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.617 HD11 ' CE2' ' A' ' 43' ' ' PHE . 4.1 pt -119.99 156.95 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -117.94 138.01 52.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.6 t -118.28 130.11 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.19 -175.68 14.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.571 ' O ' HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER 51.62 56.08 8.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.734 HD23 HD22 ' A' ' 91' ' ' LEU . 9.6 mt -103.92 159.79 28.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.511 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.0 166.56 28.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.66 11.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -107.52 48.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.616 HG12 HD22 ' A' ' 30' ' ' LEU . 8.2 tp -96.4 155.74 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -129.27 160.18 33.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.778 HG23 ' CG2' ' A' ' 52' ' ' ILE . 86.3 m -76.08 -20.22 57.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.98 -51.61 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.9 m-20 -54.75 -39.14 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.531 HD11 ' CG1' ' A' ' 34' ' ' ILE . 40.6 mt -73.96 -21.93 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.2 tt0 -76.46 -65.23 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.33 -34.86 49.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.3 t -50.67 -62.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 25' ' ' ILE . 31.1 m-85 -70.17 -32.97 71.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -47.38 -23.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.504 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -60.36 -17.25 42.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.504 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 55.4 m-85 -95.93 -54.92 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.51 -130.79 1.69 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -120.77 166.98 12.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.453 HD12 ' HG3' ' A' ' 40' ' ' GLU . 74.9 mt -120.76 152.35 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.06 -40.58 6.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -171.74 154.19 3.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.778 ' CG2' HG23 ' A' ' 36' ' ' THR . 26.1 mt -129.34 122.54 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.9 t70 -106.49 110.43 22.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.509 HD12 ' HB2' ' A' ' 64' ' ' ALA . 2.1 tp -111.91 123.46 50.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 6.0 mmtt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 125.79 9.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 17.3 p90 -120.88 157.7 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.509 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -156.6 160.22 39.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -118.53 120.95 39.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.64 137.0 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -111.34 109.3 19.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 3.2 m-85 -88.03 156.81 19.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -73.55 -38.77 65.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.98 151.87 58.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.96 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.7 mtt85 -39.42 -50.09 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -72.38 -52.96 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.539 ' O ' HG21 ' A' ' 25' ' ' ILE . . . -43.95 -30.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.4 mt-10 -82.5 -65.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' GLU . 74.4 m-20 -39.75 -37.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.2 -62.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.898 HG23 HG12 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -52.77 -28.24 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -80.98 -32.45 34.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.47 -72.2 1.23 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.725 ' HB3' HG21 ' A' ' 93' ' ' VAL . 28.6 mmt180 -38.14 -42.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -40.02 99.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 98.82 40.51 3.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.601 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 30.9 t80 -83.75 170.7 13.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -128.35 94.48 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -91.64 95.49 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.94 37.75 25.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.79 -38.92 2.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -69.16 107.65 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 7.4 mtm180 -73.05 135.85 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.734 HD22 HD23 ' A' ' 30' ' ' LEU . 41.6 mt -103.59 161.71 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.7 97.39 4.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.898 HG12 HG23 ' A' ' 78' ' ' VAL . 2.7 t -96.4 127.54 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -160.09 176.9 11.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.612 ' CE2' HG11 ' A' ' 78' ' ' VAL . 14.8 m-85 -99.04 149.94 36.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.82 HG22 ' CE1' ' A' ' 95' ' ' PHE . 8.9 pt -129.02 147.91 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -107.58 130.59 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -106.4 124.16 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.6 174.5 15.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.52 ' O ' HD23 ' A' ' 91' ' ' LEU . 40.6 m-20 48.19 81.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.912 HD23 HD22 ' A' ' 91' ' ' LEU . 22.8 mt -127.32 161.48 54.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.533 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.98 161.9 38.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.18 11.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.21 49.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.533 HD13 ' HG2' ' A' ' 31' ' ' PRO . 8.7 tp -98.88 155.89 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.38 147.85 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.735 HG23 ' CG2' ' A' ' 52' ' ' ILE . 89.8 m -64.86 -30.78 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.3 tptt -73.76 -53.24 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.947 ' O ' HG23 ' A' ' 42' ' ' VAL . 76.9 m-20 -48.97 -41.59 34.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.424 HD11 ' CG1' ' A' ' 34' ' ' ILE . 20.5 mt -69.82 -28.21 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.8 tt0 -72.4 -50.12 28.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.69 -19.4 65.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 38' ' ' ASP . 24.9 t -71.95 -65.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -67.94 -27.6 66.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -50.37 -24.99 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -58.95 -16.72 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.507 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 75.8 m-85 -99.56 -54.19 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.49 -144.34 3.89 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.06 149.21 42.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.571 HG21 HG13 ' A' ' 52' ' ' ILE . 4.5 mt -101.01 147.28 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -33.27 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -174.45 149.75 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.735 ' CG2' HG23 ' A' ' 36' ' ' THR . 15.9 mt -129.02 116.92 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -103.57 112.1 24.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 64' ' ' ALA . 2.1 tp -111.94 123.55 50.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.0 mttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.97 11.14 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.512 1.796 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 23.9 p90 -122.3 157.18 32.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.506 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.17 161.94 39.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -119.01 119.53 34.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.422 HG13 HG12 ' A' ' 52' ' ' ILE . 24.7 t -99.07 136.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -113.89 124.84 53.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -101.29 154.93 18.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.92 -47.09 81.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.78 151.82 52.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.97 -40.57 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -39.02 -65.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 74' ' ' ALA . 1.6 p30 -62.19 -43.69 98.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -43.28 -39.69 3.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 8.8 mt-10 -77.56 -52.9 8.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -54.47 -24.08 18.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -87.09 -63.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.565 ' CG2' HG12 ' A' ' 93' ' ' VAL . 1.3 p -48.14 -36.46 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 75' ' ' GLU . 14.3 m-30 -75.62 -36.33 60.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -67.79 -80.44 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 83' ' ' GLY . 26.0 mmt180 -38.93 -41.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -39.98 98.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 107.62 32.4 3.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -97.75 160.83 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.02 113.61 21.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.66 ' CB ' HD11 ' A' ' 91' ' ' LEU . 34.5 t80 -120.27 120.05 34.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.39 16.17 8.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.0 -1.31 77.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -98.55 147.44 24.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -91.56 110.82 22.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.912 HD22 HD23 ' A' ' 30' ' ' LEU . 12.4 mt -84.25 162.99 19.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -132.44 101.59 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.565 HG12 ' CG2' ' A' ' 78' ' ' VAL . 84.2 t -96.3 128.53 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.24 166.67 29.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.82 ' CE1' HG22 ' A' ' 25' ' ' ILE . 9.1 m-85 -81.92 147.83 59.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.487 HG22 ' CE1' ' A' ' 95' ' ' PHE . 3.7 pt -121.92 147.26 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -104.56 130.13 52.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.427 HG22 HG13 ' A' ' 93' ' ' VAL . 62.2 t -116.95 113.99 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.85 -177.1 18.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.721 ' O ' HD23 ' A' ' 91' ' ' LEU . 2.6 m120 58.21 49.97 10.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.819 HD23 HD22 ' A' ' 91' ' ' LEU . 15.7 mt -101.16 159.93 28.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.59 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.97 165.8 30.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.15 12.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -102.06 41.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.59 HD13 ' HG2' ' A' ' 31' ' ' PRO . 7.7 tp -99.03 158.27 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -129.24 177.19 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.521 HG23 ' CG2' ' A' ' 52' ' ' ILE . 24.0 m -88.8 -23.21 22.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.11 -48.38 8.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.557 ' O ' HG23 ' A' ' 42' ' ' VAL . 79.7 m-20 -52.4 -37.5 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.33 -26.87 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.572 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.7 tt0 -71.52 -68.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 13.7 t70 -43.16 -34.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 38' ' ' ASP . 3.0 t -59.71 -64.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 25' ' ' ILE . 20.1 m-85 -65.84 -25.4 67.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -57.65 -15.84 8.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HG2' ' NH2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.9 -16.88 64.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -97.98 -52.61 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.84 -143.73 3.78 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.06 145.4 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 43.9 mt -101.14 142.79 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -92.69 -33.65 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -176.3 160.45 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.572 HD11 ' HB2' ' A' ' 40' ' ' GLU . 34.1 mt -133.94 143.65 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -120.88 101.14 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -92.9 116.52 29.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 6.0 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.43 19.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.505 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 2.9 p90 -130.87 152.64 49.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -155.91 158.63 38.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 52' ' ' ILE . 80.2 m-85 -109.74 156.14 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.5 t -133.21 131.16 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.55 112.05 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.721 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 12.4 m-85 -86.56 155.52 20.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.67 -31.81 70.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.92 153.87 81.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.03 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -40.13 -46.38 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.23 -49.04 13.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.721 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -47.16 -33.2 4.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.4 mt-10 -79.54 -65.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -40.19 -36.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.32 -65.8 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.755 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.45 -30.07 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -79.66 -25.13 41.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -93.4 -75.62 1.3 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.879 ' HB3' HG21 ' A' ' 93' ' ' VAL . 67.0 mmt-85 -37.79 -39.42 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.769 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -45.87 95.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 102.87 33.3 4.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 81' ' ' ARG . 17.6 t80 -96.29 163.17 13.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -128.16 111.69 13.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.417 ' HB3' HD11 ' A' ' 91' ' ' LEU . 89.9 t80 -119.14 134.22 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t0 61.38 16.18 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.68 -14.98 64.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.66 140.85 29.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 0.799 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.27 139.49 34.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.819 HD22 HD23 ' A' ' 30' ' ' LEU . 12.5 mt -111.12 159.45 17.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.54 99.21 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.879 HG21 ' HB3' ' A' ' 81' ' ' ARG . 5.9 t -97.76 129.7 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -159.95 155.77 26.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.631 ' CE2' HG11 ' A' ' 78' ' ' VAL . 6.4 m-85 -75.6 150.4 84.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.557 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 10.3 pt -123.45 151.7 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 2.2 t80 -113.72 132.23 55.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.75 135.39 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.55 -178.57 15.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m120 58.27 33.02 22.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.087 HD23 HD22 ' A' ' 91' ' ' LEU . 31.7 mt -84.22 159.7 58.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.98 163.29 35.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.542 1.812 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -25.39 11.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.557 1.819 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.26 40.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.848 HG12 HD11 ' A' ' 39' ' ' ILE . 9.1 tp -89.07 156.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -131.01 142.46 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.469 HG23 ' CG2' ' A' ' 52' ' ' ILE . 3.8 m -55.23 -42.69 73.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -61.59 -58.08 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.898 ' O ' HG23 ' A' ' 42' ' ' VAL . 20.6 m-20 -48.91 -41.87 35.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.848 HD11 HG12 ' A' ' 34' ' ' ILE . 95.3 mt -70.2 -28.44 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.1 tt0 -71.1 -63.29 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -49.79 -30.8 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 38' ' ' ASP . 11.6 t -57.72 -66.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 30.6 m-85 -64.51 -23.08 67.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.28 -13.64 13.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.532 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.1 OUTLIER -64.34 -14.27 55.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.532 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 60.7 m-85 -102.88 -59.83 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.81 -129.73 1.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.87 163.07 20.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.767 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.419 HG21 HG13 ' A' ' 52' ' ' ILE . 12.5 mt -116.5 147.2 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.2 -32.7 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -179.09 160.16 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 36' ' ' THR . 25.9 mt -135.06 112.93 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.8 t0 -100.63 110.85 23.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 64' ' ' ALA . 3.4 tp -110.22 123.16 49.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 12.4 mmtt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.827 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 125.88 9.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 13.8 p90 -123.37 154.67 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.561 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -151.14 164.09 37.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -119.06 112.53 19.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.414 HG13 HG12 ' A' ' 52' ' ' ILE . 13.7 t -91.53 137.74 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -117.77 118.44 32.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.494 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 6.9 m-85 -92.82 156.63 16.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.84 -47.38 69.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.52 155.54 43.63 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ARG . 18.2 Cg_endo -75.05 -48.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PRO . 73.5 mtt180 -38.5 -56.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.41 ' OD2' ' CE1' ' A' ' 68' ' ' PHE . 4.4 t70 -65.63 -49.46 68.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -45.16 -35.08 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mt-10 -80.27 -59.47 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -46.59 -25.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -79.82 -67.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.727 HG23 HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -46.7 -32.51 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 75' ' ' GLU . 11.5 m-30 -68.75 -52.19 33.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -75.86 -68.15 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.847 ' HB3' HG21 ' A' ' 93' ' ' VAL . 4.6 mmm180 -36.75 -39.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -54.57 90.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 108.96 37.34 2.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.423 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 82.8 t80 -91.87 168.29 11.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -124.31 111.99 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -105.67 96.23 6.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.57 28.92 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.34 -33.12 6.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 93.5 m-85 -70.47 109.34 4.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 127.31 32.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.087 HD22 HD23 ' A' ' 30' ' ' LEU . 22.6 mt -98.38 160.99 13.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -131.81 98.66 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.847 HG21 ' HB3' ' A' ' 81' ' ' ARG . 2.8 t -97.48 136.74 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.11 154.55 23.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.553 ' CE2' HG11 ' A' ' 78' ' ' VAL . 2.1 m-85 -76.67 150.36 81.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.691 HG22 ' CD1' ' A' ' 95' ' ' PHE . 15.3 pt -108.3 154.45 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 9.3 t80 -110.5 126.25 54.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.65 134.97 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.76 176.73 18.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.2 m120 53.49 54.86 9.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.0 HD23 HD22 ' A' ' 91' ' ' LEU . 18.9 mt -100.55 159.49 29.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.02 165.62 30.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.32 12.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -110.23 51.52 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.717 ' CG1' HD11 ' A' ' 39' ' ' ILE . 9.3 tp -96.93 156.29 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -130.39 142.81 50.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.729 HG23 ' CG2' ' A' ' 52' ' ' ILE . 90.9 m -58.06 -21.32 45.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.1 mttt -82.12 -61.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 42' ' ' VAL . 54.0 m-20 -44.3 -35.79 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.717 HD11 ' CG1' ' A' ' 34' ' ' ILE . 16.1 mt -76.17 -40.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.573 ' HG3' HD12 ' A' ' 49' ' ' ILE . 1.1 tt0 -60.26 -58.42 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -43.52 -51.89 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 38' ' ' ASP . 25.6 t -43.01 -63.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 54.5 m-85 -65.49 -29.27 69.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' GLU . 4.4 t80 -57.55 -15.97 8.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -12.53 55.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -99.64 -58.57 1.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.19 -126.29 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.7 161.12 27.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.573 HD12 ' HG3' ' A' ' 40' ' ' GLU . 25.3 mt -110.89 139.74 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -86.39 -32.94 20.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.7 t0 179.33 155.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.729 ' CG2' HG23 ' A' ' 36' ' ' THR . 10.6 mt -130.53 119.92 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.9 t0 -103.76 109.12 20.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.576 HD12 ' HB2' ' A' ' 64' ' ' ALA . 3.2 tp -110.53 124.05 51.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.066 -0.398 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.25 11.28 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 6.9 p90 -122.07 151.74 40.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.576 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -151.75 168.04 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 64.2 m-85 -122.47 118.64 28.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.4 t -98.42 127.23 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -108.42 143.18 37.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 62.2 m-85 -115.96 163.02 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -73.58 -25.54 60.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.52 158.43 72.01 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.98 -45.26 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -44.48 -35.12 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -85.69 -41.97 14.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . . . -53.86 -35.32 61.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.88 -55.81 3.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -40.29 -34.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HB1' ' HD1' ' A' ' 43' ' ' PHE . . . -69.66 -65.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.061 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.02 -32.04 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -68.91 -11.48 60.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.19 -69.9 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 6.0 mmp_? -38.53 -48.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 3.6 t0 -40.47 99.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 101.91 40.55 2.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -89.33 167.87 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.92 103.08 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 31' ' ' PRO . 45.9 t80 -98.32 93.74 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.4 t0 53.16 36.85 23.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.04 -38.33 3.19 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -69.43 108.91 3.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 138.9 46.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.0 HD22 HD23 ' A' ' 30' ' ' LEU . 55.4 mt -107.99 154.62 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -125.85 97.76 5.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.061 HG12 HG23 ' A' ' 78' ' ' VAL . 8.1 t -92.91 129.56 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.13 144.75 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.691 ' CD1' HG22 ' A' ' 25' ' ' ILE . 2.5 m-85 -69.54 150.28 96.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 13.1 pt -128.14 136.08 61.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -98.82 130.32 45.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 93' ' ' VAL . 22.0 t -108.95 131.85 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.45 173.62 19.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.536 ' O ' HD23 ' A' ' 91' ' ' LEU . 9.9 m-80 60.92 46.07 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.937 HD23 HD22 ' A' ' 91' ' ' LEU . 15.7 mt -94.64 159.56 33.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.52 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.5 Cg_endo -75.0 165.42 31.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.21 11.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -105.5 47.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.524 HG12 HD22 ' A' ' 30' ' ' LEU . 9.3 tp -99.57 157.04 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.571 ' O ' HD12 ' A' ' 39' ' ' ILE . 11.6 mmt180 -130.31 -179.69 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 m -88.03 -35.45 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.449 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -49.13 66.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.771 ' O ' HG23 ' A' ' 42' ' ' VAL . 29.7 m-20 -56.9 -42.79 80.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 35' ' ' ARG . 67.5 mt -71.48 -19.3 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HG3' HD12 ' A' ' 49' ' ' ILE . 2.8 tt0 -79.07 -64.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -51.65 -32.3 28.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.6 t -51.27 -62.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.688 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 41.8 m-85 -72.6 -38.72 67.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -44.35 -25.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD3' ' NH1' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -55.64 -19.17 9.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -95.14 -54.18 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.4 -130.19 1.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -120.81 158.47 27.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.714 HD13 HD11 ' A' ' 52' ' ' ILE . 47.7 mt -109.76 149.79 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -35.56 11.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -179.05 154.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.9 HG12 HG13 ' A' ' 66' ' ' VAL . 61.3 mt -133.18 119.56 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -107.68 110.29 22.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 64' ' ' ALA . 4.6 tp -109.66 129.67 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.4 mttt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.2 8.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.781 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 18.3 p90 -123.33 155.29 37.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.788 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -148.45 157.94 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -119.48 108.24 14.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.9 HG13 HG12 ' A' ' 52' ' ' ILE . 3.6 t -93.16 139.03 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -119.81 134.52 55.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 10.0 m-85 -101.66 159.33 15.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.87 -26.91 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.71 159.83 67.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.97 -41.95 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -39.16 -62.03 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' GLU . 0.7 OUTLIER -66.06 -48.17 71.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -40.63 -33.04 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 77' ' ' ALA . 2.2 mt-10 -82.62 -66.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -40.41 -30.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 43' ' ' PHE . . . -74.33 -67.77 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.535 HG23 HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -47.19 -33.11 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -82.9 -30.69 28.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -81.48 -77.56 1.02 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NH2' ' CD2' ' A' ' 84' ' ' TYR . 24.3 mmm180 -39.29 -40.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -50.47 112.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.15 26.95 9.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.601 ' CD2' ' NH2' ' A' ' 81' ' ' ARG . 21.1 t80 -98.24 148.0 24.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.52 116.78 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 82.0 t80 -125.1 128.22 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 t0 59.74 22.74 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.87 -11.92 58.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.04 130.18 36.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.32 135.03 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.937 HD22 HD23 ' A' ' 30' ' ' LEU . 13.0 mt -106.79 163.49 12.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 97.82 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.535 HG12 HG23 ' A' ' 78' ' ' VAL . 32.1 t -94.46 127.29 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -160.01 151.15 19.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CE1' HG22 ' A' ' 25' ' ' ILE . 10.2 m-85 -65.69 148.52 98.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.471 HG22 ' CE1' ' A' ' 95' ' ' PHE . 4.6 pt -117.41 153.81 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.534 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 13.2 t80 -110.73 129.43 55.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.587 HG22 HG13 ' A' ' 93' ' ' VAL . 61.3 t -113.69 127.19 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.88 -174.5 13.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.573 ' O ' HD23 ' A' ' 91' ' ' LEU . 8.5 m-20 52.87 52.68 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.528 HD23 HD22 ' A' ' 91' ' ' LEU . 18.3 mt -98.66 159.16 31.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -74.94 167.17 27.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.19 7.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -103.99 48.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.621 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.5 tp -96.0 155.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -130.86 136.97 49.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -51.77 -34.7 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -72.33 -52.53 15.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.4 m-20 -51.59 -38.07 52.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.621 HD11 ' CG1' ' A' ' 34' ' ' ILE . 15.4 mt -73.52 -25.4 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -73.76 -68.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 12.8 t70 -40.95 -29.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.5 t -60.42 -65.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.62 ' HB2' HD11 ' A' ' 49' ' ' ILE . 54.4 m-85 -72.12 -19.26 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -57.68 -16.22 10.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -73.77 -13.22 60.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.563 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 59.4 m-85 -104.21 27.22 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.64 -119.13 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.61 159.61 41.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.62 HD11 ' HB2' ' A' ' 43' ' ' PHE . 58.2 mt -114.05 135.23 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -73.09 -49.9 25.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -170.75 161.01 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 HG13 ' A' ' 66' ' ' VAL . 61.8 mt -132.6 134.67 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.67 102.01 9.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -89.37 113.56 24.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' CB ' ' CE2' ' A' ' 63' ' ' PHE . 1.1 mptt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.411 ' O ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.03 130.81 13.59 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE2' ' CB ' ' A' ' 55' ' ' LYS . 16.7 p90 -121.12 157.51 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -159.85 160.81 34.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 18.0 m-85 -116.46 127.99 55.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.412 HG13 HG12 ' A' ' 52' ' ' ILE . 25.6 t -102.31 132.62 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -105.89 96.49 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.412 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.7 m-85 -71.79 164.59 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -85.23 -41.36 15.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.97 147.54 42.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.527 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.05 -47.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -39.56 -40.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -84.09 -47.12 11.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -45.09 -32.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 78' ' ' VAL . 5.2 mt-10 -77.17 -70.68 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -41.32 -34.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.69 -53.81 24.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.71 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -65.5 -28.79 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -86.05 -13.87 46.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -100.48 -80.75 1.54 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.472 ' CZ ' HG13 ' A' ' 42' ' ' VAL . 30.7 mmt180 -38.26 -32.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 0.738 . . . . 0.0 110.309 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -44.75 106.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.56 39.81 7.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -88.23 158.32 18.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.38 97.06 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.59 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 28.2 t80 -100.69 100.56 11.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 t0 65.28 16.73 10.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.45 -21.89 27.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.559 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 75.5 m-85 -75.38 134.18 41.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.26 96.97 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 29' ' ' ASN . 44.7 mt -66.19 160.85 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.73 98.34 4.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 78' ' ' VAL . 2.4 t -99.16 130.68 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.99 152.86 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 110.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.625 ' CE2' HG11 ' A' ' 78' ' ' VAL . 6.0 m-85 -72.9 150.45 90.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 43' ' ' PHE . 5.9 pt -113.55 153.7 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -109.65 133.48 53.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.1 t -113.44 124.41 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.72 171.19 15.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.153 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.823 ' O ' HD23 ' A' ' 91' ' ' LEU . 10.3 m-20 57.71 69.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.005 HD23 HD22 ' A' ' 91' ' ' LEU . 16.1 mt -116.39 161.73 30.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.04 161.46 38.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.18 11.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.47 40.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.707 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.3 tp -91.29 155.59 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -130.06 146.75 51.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 m -63.93 -17.12 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -85.0 -60.3 2.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.969 ' O ' HG23 ' A' ' 42' ' ' VAL . 75.2 m-20 -46.4 -37.93 8.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.707 HD11 ' CG1' ' A' ' 34' ' ' ILE . 34.5 mt -71.94 -36.41 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -59.06 -55.28 37.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.419 ' N ' ' HG2' ' A' ' 40' ' ' GLU . 75.0 m-20 -59.43 -44.32 92.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 38' ' ' ASP . 32.1 t -43.24 -52.8 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 25' ' ' ILE . 26.4 m-85 -77.33 -37.1 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -47.88 -22.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 42' ' ' VAL . 6.9 ptpp? -58.32 -17.02 16.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -98.64 -57.02 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.68 -130.21 1.71 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.82 160.67 25.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 43' ' ' PHE . 48.0 mt -117.04 142.62 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -87.92 -38.13 15.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -174.16 158.54 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.8 mt -132.34 134.97 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 82.9 m-20 -121.91 115.73 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.6 tp -116.38 125.02 51.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.551 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.5 Cg_endo -75.02 132.48 15.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.551 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 8.7 p90 -125.15 155.79 39.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.504 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -159.04 165.1 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -117.96 148.0 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.15 124.43 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.82 122.4 44.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.242 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 10.6 m-85 -101.47 156.31 17.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -72.94 -34.11 66.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -128.55 149.11 70.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.91 -45.75 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -42.0 -45.46 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.07 -39.45 33.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -55.56 -26.61 44.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 77' ' ' ALA . 3.9 mt-10 -84.1 -61.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.39 -28.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -79.68 -69.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.636 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -41.56 -33.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -70.51 -56.46 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.56 -63.52 3.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.93 ' HB3' HG21 ' A' ' 93' ' ' VAL . 5.4 mmm180 -38.76 -49.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.97 97.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 109.55 36.75 2.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -101.27 156.82 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 111.016 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -124.65 109.85 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.496 ' HB3' HD11 ' A' ' 91' ' ' LEU . 82.6 t80 -118.99 133.84 55.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 60.73 17.62 7.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.77 -12.34 67.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -91.69 145.08 24.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.91 143.1 28.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 1.005 HD22 HD23 ' A' ' 30' ' ' LEU . 8.2 mt -120.2 163.74 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -133.8 106.2 7.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.93 HG21 ' HB3' ' A' ' 81' ' ' ARG . 25.5 t -101.23 124.93 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -159.82 157.51 29.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.648 ' CE1' HG22 ' A' ' 25' ' ' ILE . 26.1 m-85 -73.88 150.3 88.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.57 HG21 ' HB ' ' A' ' 78' ' ' VAL . 23.5 pt -97.14 132.63 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.459 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 29.9 t80 -95.55 135.32 37.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -114.75 139.51 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.25 -175.98 14.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 56.3 27.25 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.257 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.972 HD23 HD22 ' A' ' 91' ' ' LEU . 27.2 mt -74.94 158.49 84.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.431 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.5 Cg_endo -74.95 166.45 29.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.72 7.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -104.9 48.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.668 ' CG1' HD11 ' A' ' 39' ' ' ILE . 7.9 tp -94.36 155.32 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -128.86 144.09 51.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.567 HG23 ' CG2' ' A' ' 52' ' ' ILE . 12.2 m -56.98 -26.54 60.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -76.93 -56.62 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.695 ' O ' HG23 ' A' ' 42' ' ' VAL . 39.5 m-20 -47.91 -45.69 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.668 HD11 ' CG1' ' A' ' 34' ' ' ILE . 10.7 mt -66.44 -28.31 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -73.8 -67.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.413 ' HA ' ' CB ' ' A' ' 44' ' ' TYR . 28.7 m-20 -44.27 -28.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.6 t -59.25 -61.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.448 ' HD1' ' HB1' ' A' ' 77' ' ' ALA . 56.6 m-85 -78.33 -20.83 50.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.413 ' CB ' ' HA ' ' A' ' 41' ' ' ASP . 12.1 t80 -56.67 -16.3 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HD3' ' NH2' ' A' ' 81' ' ' ARG . 13.7 ptmt -72.87 -17.05 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -95.84 -60.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -143.89 -146.79 4.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.64 144.5 43.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.486 HD13 HD11 ' A' ' 52' ' ' ILE . 56.4 mt -98.78 139.43 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -91.78 -31.81 15.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.6 155.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.567 ' CG2' HG23 ' A' ' 36' ' ' THR . 46.5 mt -131.2 106.83 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -90.96 109.19 20.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.449 ' HA ' ' CB ' ' A' ' 64' ' ' ALA . 2.2 tp -112.0 125.41 54.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 8.0 mttt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.29 9.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 12.7 p90 -122.54 155.43 36.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -156.82 167.27 30.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -124.38 111.96 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 52' ' ' ILE . 81.7 t -90.65 132.46 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.26 138.23 45.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -110.33 146.85 35.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -60.26 -47.35 86.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -110.72 156.24 40.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -49.82 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -42.51 -55.12 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -51.46 68.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.531 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.94 -39.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 77' ' ' ALA . 6.0 mt-10 -76.32 -62.43 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 80' ' ' GLY . 79.2 m-20 -40.43 -30.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HB1' ' HD1' ' A' ' 43' ' ' PHE . . . -75.06 -67.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.781 HG23 HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -46.61 -33.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -85.17 -32.71 22.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -66.46 -65.74 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.649 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 35.5 mmt180 -67.69 -97.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER 41.22 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.08 36.72 6.55 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.649 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 67.9 t80 -80.77 140.78 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -87.25 111.7 21.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -112.3 91.86 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 63.13 21.06 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.39 -23.59 26.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -79.68 117.35 20.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.985 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.75 137.49 39.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.972 HD22 HD23 ' A' ' 30' ' ' LEU . 12.1 mt -110.52 151.72 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.93 105.05 11.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.781 HG12 HG23 ' A' ' 78' ' ' VAL . 3.5 t -103.68 120.21 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -159.92 147.55 16.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CE1' HG22 ' A' ' 25' ' ' ILE . 13.9 m-85 -66.96 147.89 98.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.566 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 31.7 pt -106.76 153.7 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 65' ' ' PHE . 63.3 t80 -114.57 131.19 56.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 111.066 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.53 HG22 HG13 ' A' ' 93' ' ' VAL . 41.5 t -110.26 126.13 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.18 -177.78 16.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.627 ' O ' HD23 ' A' ' 91' ' ' LEU . 10.1 m120 50.29 59.53 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.98 HD23 HD22 ' A' ' 91' ' ' LEU . 29.1 mt -104.22 159.5 29.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.455 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.97 165.76 30.67 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.7 11.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -109.4 50.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.487 HG12 HD11 ' A' ' 39' ' ' ILE . 9.2 tp -96.87 156.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -129.23 140.94 51.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.805 HG23 ' CG2' ' A' ' 52' ' ' ILE . 46.6 m -58.12 -26.99 63.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -74.85 -55.15 6.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.828 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.7 m-20 -50.54 -35.29 28.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.487 HD11 HG12 ' A' ' 34' ' ' ILE . 61.2 mt -75.34 -26.7 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.618 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.4 tt0 -71.28 -62.49 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.84 -36.33 58.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.7 t -49.01 -53.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 34.7 m-85 -81.96 -40.89 21.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -38.48 -37.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.71 -30.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -83.6 -54.74 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.21 -130.92 1.73 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.92 164.69 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.529 HD12 ' HG3' ' A' ' 40' ' ' GLU . 39.4 mt -114.27 156.2 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -105.51 -26.72 11.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 t0 174.9 155.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.805 ' CG2' HG23 ' A' ' 36' ' ' THR . 10.5 mt -130.96 121.83 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -105.09 109.79 21.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.547 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.8 tp -113.71 126.94 55.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.3 mttt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.87 15.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 21.0 p90 -129.11 154.4 46.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.81 159.0 36.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 51.0 m-85 -114.13 137.73 51.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.4 122.93 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -94.8 137.79 33.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -112.37 148.19 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.9 -38.11 87.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.27 156.49 63.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -49.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -40.23 -61.63 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.34 -46.91 82.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.538 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -50.15 -28.44 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -88.8 -50.31 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -52.12 -30.46 26.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -76.32 -64.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.839 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -51.63 -32.19 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -65.25 -18.96 65.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.31 -65.36 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 72.6 mmt-85 -39.13 -34.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 0.731 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 98.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.01 35.32 4.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.401 ' CG ' ' N ' ' A' ' 85' ' ' ASP . 66.6 t80 -84.53 165.88 17.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 25.7 t70 -116.92 95.03 4.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -90.5 95.49 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t70 56.43 30.79 17.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.68 -35.07 5.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.556 1.16 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -69.01 114.74 7.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -74.0 132.19 42.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.98 HD22 HD23 ' A' ' 30' ' ' LEU . 50.7 mt -107.08 148.32 28.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.29 97.6 5.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.839 HG12 HG23 ' A' ' 78' ' ' VAL . 2.1 t -97.52 125.78 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -160.08 150.37 18.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.505 ' CE1' HG22 ' A' ' 25' ' ' ILE . 32.8 m-85 -70.8 145.73 92.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.543 ' CD1' ' CE1' ' A' ' 43' ' ' PHE . 6.9 pt -113.62 128.83 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -88.86 131.49 35.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.0 t -109.89 131.7 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.33 179.61 16.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.663 ' O ' HD23 ' A' ' 91' ' ' LEU . 6.7 m-80 54.47 58.05 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.664 HD23 HD22 ' A' ' 91' ' ' LEU . 14.4 mt -108.83 158.91 32.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.477 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.05 165.68 30.73 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.447 1.761 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -28.34 9.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -104.82 47.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.551 HG12 HD22 ' A' ' 30' ' ' LEU . 8.6 tp -96.56 155.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -128.42 148.65 50.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.776 HG23 ' CG2' ' A' ' 52' ' ' ILE . 59.5 m -64.33 -19.76 65.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -80.96 -57.28 3.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.718 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.4 m-20 -48.24 -38.49 18.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.444 HD11 HG12 ' A' ' 34' ' ' ILE . 49.8 mt -72.22 -33.22 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 37' ' ' LYS . 1.7 tt0 -63.18 -65.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 2.7 t70 -40.24 -49.36 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 38' ' ' ASP . 55.7 t -43.25 -66.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.638 ' HD1' ' HB1' ' A' ' 77' ' ' ALA . 50.8 m-85 -66.84 -50.91 61.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -42.58 -27.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -53.09 -20.89 4.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.541 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 70.2 m-85 -96.33 -54.37 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.47 -140.57 3.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.58 148.87 43.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.423 HG22 ' H ' ' A' ' 51' ' ' ASP . 23.2 mt -103.21 146.25 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -28.25 17.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.423 ' H ' HG22 ' A' ' 49' ' ' ILE . 9.8 t70 177.86 154.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.776 ' CG2' HG23 ' A' ' 36' ' ' THR . 35.2 mt -128.55 122.53 57.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -105.19 112.9 26.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.8 tp -113.94 123.79 50.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 11.4 mttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.37 11.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 22.8 p90 -123.71 156.54 35.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.54 162.34 38.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -117.66 146.11 43.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.15 129.86 73.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -107.52 110.23 22.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.25 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.72 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 23.3 m-85 -87.73 156.76 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -73.35 -17.98 61.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.1 151.11 40.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.86 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -48.37 -45.33 35.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.5 m-20 -74.84 -55.13 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.72 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.33 -38.05 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -74.21 -48.16 30.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 73' ' ' ASP . 31.9 m-20 -51.03 -32.29 21.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.638 ' HB1' ' HD1' ' A' ' 43' ' ' PHE . . . -74.25 -63.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.091 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.04 -31.93 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -66.57 -11.63 53.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -125.27 -67.11 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.631 ' N ' ' HE ' ' A' ' 81' ' ' ARG . 1.2 mmp_? -40.01 -29.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' GLY . 2.5 t0 -65.46 102.28 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.58 32.32 5.18 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -90.5 144.96 25.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.47 94.56 5.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -88.32 100.1 12.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t70 60.78 26.54 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.09 -29.8 11.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -73.71 109.53 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.11 104.18 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.664 HD22 HD23 ' A' ' 30' ' ' LEU . 62.7 mt -70.55 167.88 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -139.26 99.47 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.091 HG12 HG23 ' A' ' 78' ' ' VAL . 7.9 t -99.79 126.78 53.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -159.87 147.8 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.506 ' CE2' HG11 ' A' ' 78' ' ' VAL . 40.3 m-85 -68.73 150.19 97.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.444 HG22 ' CE1' ' A' ' 95' ' ' PHE . 21.4 pt -126.19 156.66 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -112.81 131.32 55.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 t -116.3 125.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.72 -176.38 14.46 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 60.64 28.33 18.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.674 HD23 HD22 ' A' ' 91' ' ' LEU . 7.1 mt -78.23 158.52 76.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.473 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -75.02 167.65 26.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -29.79 7.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -104.36 49.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.473 HD13 ' CG ' ' A' ' 31' ' ' PRO . 9.3 tp -98.07 156.49 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.09 152.79 48.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.738 HG23 ' CG2' ' A' ' 52' ' ' ILE . 95.9 m -65.26 -22.89 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -80.85 -54.03 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.603 ' O ' HG23 ' A' ' 42' ' ' VAL . 44.2 m-20 -49.25 -39.36 30.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mt -71.66 -28.74 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.6 tt0 -70.86 -68.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -42.57 -41.2 2.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 38' ' ' ASP . 3.1 t -50.03 -65.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 27.8 m-85 -66.52 -38.42 87.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -45.63 -24.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -19.51 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -95.17 -55.45 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.06 -130.21 1.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.48 162.82 24.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 0.781 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.486 HG21 ' CG1' ' A' ' 52' ' ' ILE . 31.8 mt -115.27 145.68 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.08 -40.05 11.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -169.42 152.8 4.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.738 ' CG2' HG23 ' A' ' 36' ' ' THR . 32.1 mt -129.74 135.17 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 8.6 m-20 -123.6 114.17 19.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -115.41 123.39 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.561 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 2.5 mptt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.4 Cg_endo -74.95 126.21 9.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 17.5 p90 -119.01 155.22 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.96 163.16 38.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -117.19 149.61 40.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -125.38 127.65 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -109.28 121.5 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 m-85 -94.71 165.57 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -78.55 -35.08 46.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.39 158.99 56.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -47.74 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -43.23 -58.81 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -58.38 -47.18 84.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -51.42 -25.91 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.74 -55.5 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -51.46 -30.31 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.46 -62.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.1 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -58.59 -31.92 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -63.73 -11.57 27.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -121.72 -69.43 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.633 ' N ' ' HE ' ' A' ' 81' ' ' ARG . 1.4 mmp_? -39.6 -29.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 11.9 t0 -63.67 92.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.22 8.39 14.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.404 ' HD2' HD12 ' A' ' 91' ' ' LEU . 8.4 t80 -64.11 163.94 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -127.7 112.65 15.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.521 ' CB ' HD11 ' A' ' 91' ' ' LEU . 41.6 t80 -132.66 127.34 34.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.3 t0 67.09 18.69 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.78 7.5 85.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -107.36 135.76 48.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 91.33 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.674 HD22 HD23 ' A' ' 30' ' ' LEU . 8.7 mt -56.7 152.75 11.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.87 106.91 10.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 1.1 HG12 HG23 ' A' ' 78' ' ' VAL . 4.5 t -106.65 128.29 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.99 154.32 23.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CE2' HG11 ' A' ' 78' ' ' VAL . 29.2 m-85 -78.77 150.38 75.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.492 HG22 ' CE1' ' A' ' 95' ' ' PHE . 22.7 pt -125.22 160.36 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 69.7 t80 -120.17 128.75 53.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.5 t -108.7 117.66 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.74 178.33 18.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.664 ' O ' HD23 ' A' ' 91' ' ' LEU . 1.4 t-20 52.35 73.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.25 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.825 HD23 HD22 ' A' ' 91' ' ' LEU . 12.3 mt -117.0 159.83 39.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.99 167.08 27.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -29.44 8.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -104.79 49.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.501 HG12 HD22 ' A' ' 30' ' ' LEU . 9.6 tp -96.86 156.6 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -131.62 143.16 50.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.463 ' CG2' ' CG2' ' A' ' 52' ' ' ILE . 2.3 m -55.26 -42.33 73.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -63.35 -54.2 40.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.09 -42.11 37.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.432 HD11 ' CG1' ' A' ' 34' ' ' ILE . 45.8 mt -69.61 -27.52 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.579 ' HG3' HD12 ' A' ' 49' ' ' ILE . 3.3 tt0 -73.18 -65.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -42.53 -49.54 5.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -43.5 -65.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.554 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 27.4 m-85 -65.09 -31.67 72.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -53.46 -18.92 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HD2' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -56.17 -18.82 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.555 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 45.4 m-85 -96.77 -55.36 2.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.62 -136.84 2.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.27 147.56 46.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.579 HD12 ' HG3' ' A' ' 40' ' ' GLU . 15.0 mt -96.76 145.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -30.03 21.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.1 t70 177.63 160.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.538 HD11 HD13 ' A' ' 49' ' ' ILE . 35.7 mt -134.44 136.39 52.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -115.11 101.06 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -95.72 118.26 32.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' CB ' ' CE2' ' A' ' 63' ' ' PHE . 11.5 mmtt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 126.58 10.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.476 ' CE2' ' CB ' ' A' ' 55' ' ' LYS . 17.4 p90 -119.93 154.88 33.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -158.77 158.26 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 51.0 m-85 -112.62 149.86 32.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.34 129.92 74.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -109.75 101.94 10.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.654 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 9.3 m-85 -74.53 161.76 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -79.5 -17.64 53.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -141.51 154.25 66.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ARG . 18.4 Cg_endo -74.96 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PRO . 71.6 mtt180 -38.2 -58.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -59.51 -59.1 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -42.55 -34.19 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 3.8 mt-10 -78.08 -55.24 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.11 -19.79 14.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.33 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.588 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -43.25 -34.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 75' ' ' GLU . 17.0 m-85 -77.68 -44.73 27.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.59 -73.47 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.554 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 6.0 mmp_? -39.18 -41.99 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.351 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.81 96.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 104.39 32.5 4.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' ARG . 72.0 t80 -77.52 164.42 25.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.784 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -122.74 99.95 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.484 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 24.2 t80 -97.82 93.22 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.8 t0 53.05 37.69 25.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.74 -39.23 2.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -68.24 105.95 2.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -73.04 133.11 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.825 HD22 HD23 ' A' ' 30' ' ' LEU . 36.0 mt -101.52 147.68 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.8 97.65 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 HG23 ' A' ' 78' ' ' VAL . 4.3 t -95.75 132.4 40.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -160.21 151.56 19.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.588 ' CE2' HG11 ' A' ' 78' ' ' VAL . 6.2 m-85 -70.38 150.32 95.77 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -166.72 164.41 16.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.35 162.38 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.3 164.22 12.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -164.36 163.1 22.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.756 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.09 138.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.31 -171.23 13.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.78 129.37 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.46 160.73 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.43 -149.28 19.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.59 135.31 3.3 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.419 ' C ' HG22 ' A' ' 13' ' ' VAL . . . 177.94 -155.73 17.88 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.419 HG22 ' C ' ' A' ' 12' ' ' GLY . 28.8 m 41.93 56.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.7 tt -46.29 -47.27 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.6 mtt180 -144.61 135.11 24.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.47 162.35 31.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.62 11.64 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.1 154.1 45.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.61 -108.43 1.24 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -172.2 113.05 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 109.363 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -177.02 167.93 2.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -119.75 -172.45 2.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.5 m 59.87 31.79 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -110.2 127.83 55.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.476 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 11.3 pt -126.42 136.88 59.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 41.7 t80 -97.92 131.55 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.496 HG12 HD11 ' A' ' 30' ' ' LEU . 59.8 t -111.6 125.65 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.1 179.94 15.96 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.611 ' O ' HD23 ' A' ' 91' ' ' LEU . 3.1 m-20 57.34 46.98 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.73 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.792 HD23 HD22 ' A' ' 91' ' ' LEU . 16.7 mt -100.24 160.05 28.1 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.537 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.05 163.06 35.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -27.01 10.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.452 1.764 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -102.84 45.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.537 HD13 ' HG2' ' A' ' 31' ' ' PRO . 8.7 tp -98.76 156.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -129.82 153.39 48.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.0 m -66.58 -22.97 66.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.386 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -72.8 -56.8 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.8 ' O ' HG23 ' A' ' 42' ' ' VAL . 27.3 m-20 -47.11 -45.08 21.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.7 mt -66.64 -31.18 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.519 ' HA ' HD13 ' A' ' 49' ' ' ILE . 1.2 tt0 -69.08 -57.88 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -62.17 -14.41 37.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.7 t -77.83 -65.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 47.1 m-85 -72.47 -13.07 61.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.48 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 1.2 t80 -63.89 -26.82 68.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -64.2 -19.41 65.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -98.59 27.14 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.51 -114.78 2.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -146.98 169.01 20.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 40' ' ' GLU . 7.7 mt -120.7 145.84 26.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.82 -42.69 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -170.41 144.84 2.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.512 ' CG1' HG21 ' A' ' 49' ' ' ILE . 11.0 mt -122.68 129.56 75.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -116.29 114.54 24.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.605 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -116.69 123.54 47.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 3.0 mptt -75.75 -75.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.524 HD22 HD21 ' A' ' 54' ' ' LEU . 5.1 t-20 65.05 91.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -177.12 165.58 2.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -39.89 128.48 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.5 67.58 0.1 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.91 -155.04 50.52 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 172.46 16.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.23 18.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.563 1.822 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.533 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 2.7 p90 -128.68 151.7 49.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -156.49 158.89 38.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -116.04 136.7 52.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.7 t -111.43 123.39 67.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.86 109.13 20.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.59 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 8.9 m-85 -82.88 169.34 16.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -81.43 -36.1 29.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -126.33 151.2 72.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -49.08 -33.66 12.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.267 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.76 -50.08 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.59 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -45.65 -33.73 3.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 41.9 mt-10 -80.99 -44.1 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.06 -31.55 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.31 -63.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.955 HG23 ' CG1' ' A' ' 93' ' ' VAL . 0.6 OUTLIER -55.45 -33.77 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.444 ' CD1' ' O ' ' A' ' 75' ' ' GLU . 2.4 m-30 -58.09 -18.08 22.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.8 -64.87 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HB3' HG21 ' A' ' 93' ' ' VAL . 33.8 mmt180 -40.07 -31.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.79 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 16.8 t0 -62.97 93.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.5 20.85 6.02 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 111.059 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.44 ' HD2' HD12 ' A' ' 91' ' ' LEU . 19.5 t80 -82.71 153.53 25.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -115.06 113.01 23.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -121.46 128.58 52.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 61.99 21.01 12.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.94 -16.34 57.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.93 137.34 32.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.59 143.07 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.792 HD22 HD23 ' A' ' 30' ' ' LEU . 38.5 mt -112.96 148.0 35.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -121.29 99.57 6.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.955 ' CG1' HG23 ' A' ' 78' ' ' VAL . 3.5 t -96.98 126.81 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.03 153.77 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -76.02 150.3 83.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.19 36.32 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -58.78 147.76 32.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.335 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.0 -53.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.68 -166.94 20.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -94.71 165.35 12.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 142.22 84.17 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.3 m -141.44 96.44 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.368 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -104.43 173.61 21.35 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.68 169.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.06 171.16 14.76 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.566 1.824 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.91 -57.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.037 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.9 t 62.17 92.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 p -160.69 -58.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 0.809 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -146.2 151.6 37.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.032 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.98 159.32 27.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -155.63 115.98 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.44 152.63 34.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.028 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.67 140.93 8.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -165.78 134.12 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -102.62 152.0 21.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.939 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.35 148.48 5.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.26 135.46 2.24 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.22 142.1 4.14 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 p -122.94 143.62 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.2 tt -76.2 159.35 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 15' ' ' ARG . 4.4 ptp180 -47.77 164.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.6 157.35 29.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.25 4.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.49 173.2 6.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -172.38 172.52 44.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.35 108.62 10.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 53.66 173.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.555 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 6.4 m-20 -115.81 107.54 15.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 62.8 m -96.55 -16.69 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -104.06 114.23 28.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.624 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 38.5 pt -102.7 147.1 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 26' ' ' TYR . 1.8 t80 -111.02 129.0 56.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.74 133.32 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.88 178.48 18.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 61.43 31.48 19.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.891 HD23 HD22 ' A' ' 91' ' ' LEU . 17.2 mt -80.02 159.94 69.69 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.452 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.98 166.54 29.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.804 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -28.27 9.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -106.67 50.12 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 86' ' ' TYR . 9.0 tp -96.4 156.03 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -130.87 137.34 49.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -49.66 -47.48 50.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -55.09 -56.26 21.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.662 ' O ' HG23 ' A' ' 42' ' ' VAL . 6.9 m-20 -49.88 -38.75 36.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.1 mt -73.07 -26.74 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.557 ' HG3' HD12 ' A' ' 49' ' ' ILE . 2.1 tt0 -73.38 -67.62 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 8.6 t70 -42.06 -41.1 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 38' ' ' ASP . 3.2 t -46.9 -65.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.624 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 46.2 m-85 -70.67 -31.71 68.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.54 -18.88 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -63.23 -13.58 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -100.13 -57.12 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -148.05 -128.92 1.82 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.33 162.43 21.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.557 HD12 ' HG3' ' A' ' 40' ' ' GLU . 33.5 mt -114.91 141.09 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.0 -42.6 13.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.7 152.17 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 40' ' ' GLU . 11.6 mt -127.72 115.95 41.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -103.82 110.57 22.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.512 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -114.42 124.37 51.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -71.49 -79.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 53.62 101.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.54 -46.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.341 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -176.13 158.99 2.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.37 93.29 1.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.46 -154.08 17.24 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.55 14.32 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 126.14 9.74 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 10.6 p90 -125.06 154.25 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.512 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -152.5 161.53 42.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -117.69 108.89 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.5 126.62 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -99.3 142.88 30.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -117.82 148.83 41.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.98 -38.66 91.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.86 156.55 65.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.05 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 -39.03 -56.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.16 -52.01 64.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -43.46 -30.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.01 -63.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -40.74 -33.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HB1' ' CD2' ' A' ' 43' ' ' PHE . . . -69.35 -66.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.982 HG23 HG12 ' A' ' 93' ' ' VAL . 0.7 OUTLIER -52.41 -33.36 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -65.99 -14.98 62.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -120.92 -68.3 0.27 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.468 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 6.1 mmp_? -38.86 -32.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 2.8 t70 -57.83 99.86 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.16 40.43 3.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -91.08 150.51 21.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -96.75 101.44 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.502 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 26.4 t80 -103.99 106.71 17.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t0 53.71 28.18 7.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.96 -36.9 3.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -64.58 151.77 43.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -105.0 130.06 53.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.891 HD22 HD23 ' A' ' 30' ' ' LEU . 20.1 mt -103.56 153.48 20.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -124.45 100.2 6.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.982 HG12 HG23 ' A' ' 78' ' ' VAL . 4.3 t -97.76 123.08 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -159.98 151.78 20.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CE2' HG11 ' A' ' 78' ' ' VAL . 59.3 m-85 -74.54 148.43 85.59 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.91 160.86 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 p -168.55 160.19 10.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.17 61.06 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -174.21 132.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 0.786 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 130.19 -149.04 18.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.444 1.09 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.5 m 62.69 127.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 110.404 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 170.79 -105.56 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.088 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.24 161.94 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 150.45 77.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.28 133.06 45.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.5 p -119.12 -58.52 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.959 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.82 173.28 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 0.733 . . . . 0.0 110.038 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t 62.36 158.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.55 -129.78 3.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.33 -60.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.989 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.25 167.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.81 124.76 0.76 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtm -158.47 152.98 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.763 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 p -177.02 164.9 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.45 152.47 5.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.0 162.73 15.44 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.34 -156.02 26.33 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.47 106.52 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.5 pt -112.46 17.66 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -169.0 171.6 8.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.3 157.23 22.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.062 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.67 8.27 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.64 168.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -147.88 114.7 0.71 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -143.32 163.35 33.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -80.06 148.05 31.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -154.75 116.33 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.4 m -121.39 32.17 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 8.0 ptp180 -114.44 121.13 42.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.613 HG22 ' CE1' ' A' ' 95' ' ' PHE . 9.2 pt -108.18 160.29 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -121.35 137.43 54.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 93' ' ' VAL . 37.4 t -118.01 127.85 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.0 -175.21 14.0 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.425 1.078 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 90' ' ' ARG . 8.0 t-20 59.08 17.21 5.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.7 HD22 HG12 ' A' ' 34' ' ' ILE . 10.4 mt -65.68 158.86 72.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.476 ' HB3' ' CG ' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.99 166.85 28.33 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.45 1.763 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -28.13 9.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -107.06 50.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.7 HG12 HD22 ' A' ' 30' ' ' LEU . 9.5 tp -97.23 156.62 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -130.83 143.26 50.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.508 ' CG2' ' CG2' ' A' ' 52' ' ' ILE . 1.9 m -53.59 -44.1 69.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -62.48 -52.9 61.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.809 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.7 m-20 -50.02 -41.8 48.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.5 mt -70.07 -26.57 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.8 tt0 -74.18 -64.3 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -51.55 -22.18 3.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.7 t -67.0 -52.76 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CE2' HD11 ' A' ' 25' ' ' ILE . 27.8 m-85 -82.33 -21.35 36.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -58.99 -14.82 10.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -13.79 62.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -99.8 -60.14 1.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.35 -128.12 1.81 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.76 164.76 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.429 HG21 HG13 ' A' ' 52' ' ' ILE . 17.9 mt -116.83 145.05 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.73 -36.07 14.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -175.35 157.01 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.508 ' CG2' ' CG2' ' A' ' 36' ' ' THR . 34.4 mt -131.05 129.47 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -118.34 111.3 18.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 3.2 tp -113.52 127.33 56.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 63' ' ' PHE . 2.7 mmmt -105.66 98.88 8.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -99.54 90.4 4.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.82 96.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 168.09 173.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.36 71.95 0.45 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.83 -158.68 25.78 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.2 Cg_endo -74.99 147.47 34.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.3 Cg_endo -75.01 138.78 23.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 55' ' ' LYS . 35.9 p90 -127.82 156.55 42.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.479 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -159.58 166.55 30.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -118.98 144.18 46.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -119.35 122.08 68.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.14 115.05 29.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.737 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 6.2 m-85 -90.78 161.79 15.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -78.24 -43.44 28.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.04 150.83 44.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -41.96 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -48.14 -47.76 34.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.85 -57.56 3.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.737 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.43 -33.63 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -80.86 -67.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -40.33 -32.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.15 -62.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.046 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -55.16 -32.44 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -73.41 -11.56 60.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -108.52 -76.49 0.94 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.569 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 30.4 mmt180 -38.74 -37.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 110.346 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.9 OUTLIER -43.41 98.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 97.87 38.54 4.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.569 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 43.4 t80 -85.02 170.24 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.735 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 2.9 t70 -122.97 99.65 6.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -99.11 96.34 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.3 t0 55.7 32.21 18.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.41 -35.12 5.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.476 ' CG ' ' HB3' ' A' ' 31' ' ' PRO . 98.6 m-85 -70.47 108.32 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -73.58 127.68 33.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.555 HD22 HD23 ' A' ' 30' ' ' LEU . 12.0 mt -96.49 151.47 19.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -121.73 97.84 5.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.046 HG12 HG23 ' A' ' 78' ' ' VAL . 2.7 t -95.96 126.43 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -159.9 148.37 17.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.613 ' CE1' HG22 ' A' ' 25' ' ' ILE . 16.5 m-85 -70.08 150.19 96.19 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -168.32 153.83 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.9 t -166.25 162.72 17.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -120.19 127.83 7.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.16 128.24 17.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 140.39 160.44 8.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.1 p -133.32 163.74 28.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.457 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -107.53 177.21 21.26 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.0 p -146.22 153.24 40.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.977 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -124.45 97.29 0.54 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.436 1.085 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.14 174.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.01 165.99 26.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -172.54 124.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.62 121.95 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.54 166.0 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.46 137.19 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 110.011 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -88.44 158.03 18.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.59 110.52 0.46 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -121.08 -55.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.759 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.14 95.95 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.91 146.2 10.6 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.29 168.84 1.03 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.85 126.73 2.19 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.1 t 50.4 87.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 15' ' ' ARG . 17.0 tt -59.75 -52.2 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' N ' HG23 ' A' ' 14' ' ' ILE . 24.8 mtp180 -139.79 157.96 44.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.1 157.27 27.32 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 117.25 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 148.36 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.43 -125.87 5.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -128.85 128.58 44.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 66.16 97.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -70.48 87.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 71' ' ' PRO . 30.6 m -105.39 31.24 5.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.294 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -111.25 138.48 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.785 HG22 ' CE1' ' A' ' 95' ' ' PHE . 12.0 pt -132.46 136.28 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 57.1 t80 -94.97 130.5 41.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.427 HG22 HG13 ' A' ' 93' ' ' VAL . 67.3 t -111.51 124.46 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.3 177.49 16.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.843 ' O ' HD23 ' A' ' 91' ' ' LEU . 34.6 m-20 56.11 62.92 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.255 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.056 HD23 HD22 ' A' ' 91' ' ' LEU . 20.0 mt -113.0 160.39 31.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.494 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 162.19 37.56 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -26.37 10.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.14 32.2 2.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.494 HD13 ' HG2' ' A' ' 31' ' ' PRO . 9.1 tp -86.5 156.46 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.3 mtm180 -128.47 159.21 36.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m -72.1 -33.74 68.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 40' ' ' GLU . 1.4 tptt -73.88 -51.9 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.878 ' O ' HG23 ' A' ' 42' ' ' VAL . 62.4 m-20 -47.89 -44.81 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.3 mt -66.79 -29.14 45.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.1 tt0 -72.97 -51.36 18.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.29 -21.5 59.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 38' ' ' ASP . 39.3 t -70.02 -66.01 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 51.3 m-85 -66.2 -31.33 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.455 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -50.67 -25.58 4.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -57.05 -18.31 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 62.3 m-85 -99.31 -57.83 2.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.36 -138.55 3.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.75 151.03 47.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 0.739 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.621 HG21 HG13 ' A' ' 52' ' ' ILE . 3.6 mt -99.8 148.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -29.72 15.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.5 t70 178.35 144.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.621 HG13 HG21 ' A' ' 49' ' ' ILE . 11.8 mt -122.76 124.58 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.0 OUTLIER -109.45 111.67 23.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 1.7 tp -110.92 123.94 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mttt -88.54 -67.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 49.56 88.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.48 -57.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -52.06 144.41 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -39.79 130.84 2.49 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.04 -167.06 12.21 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.506 1.793 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.98 10.33 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 11.7 p90 -121.51 154.15 37.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -158.95 157.23 30.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 6.5 m-85 -114.49 138.25 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -110.9 131.09 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -107.11 102.77 12.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.551 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 9.2 m-85 -76.88 164.47 25.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -79.03 -42.44 26.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.07 153.75 57.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 18.3 Cg_endo -75.05 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -44.64 -45.1 9.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.64 -47.18 19.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -50.13 -27.24 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -89.59 -48.44 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -53.92 -31.24 49.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.88 -63.64 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.97 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -57.03 -32.85 41.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -59.93 -13.93 13.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.93 -68.94 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.62 ' HB3' HG21 ' A' ' 93' ' ' VAL . 26.6 mmt180 -38.69 -38.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 17.1 t0 -54.15 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 114.13 25.75 4.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -89.28 163.69 15.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -127.5 108.69 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.419 ' HB3' HD11 ' A' ' 91' ' ' LEU . 89.3 t80 -113.32 134.4 54.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.5 t0 59.01 20.99 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 90.14 -17.42 53.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.45 134.68 33.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.79 143.88 34.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.056 HD22 HD23 ' A' ' 30' ' ' LEU . 7.8 mt -117.98 158.91 24.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.05 102.17 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.97 HG12 HG23 ' A' ' 78' ' ' VAL . 5.8 t -97.56 123.81 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -160.06 155.19 24.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.785 ' CE1' HG22 ' A' ' 25' ' ' ILE . 67.3 m-85 -77.31 148.33 77.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo -74.97 71.6 4.92 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 62.13 170.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.326 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.6 m -149.55 112.69 4.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -38.91 146.23 0.17 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.23 143.21 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -171.9 66.89 0.13 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t -130.35 131.69 45.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 0.811 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -175.35 -90.2 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.31 166.58 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 0.736 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.97 -148.04 18.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.095 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 91.09 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.6 t -50.32 146.12 5.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.74 148.29 22.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.19 119.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.757 . . . . 0.0 109.962 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.68 169.06 10.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.934 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.78 158.78 24.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 p -166.07 174.96 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -140.03 155.69 46.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.03 -124.07 1.5 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 ttp 57.41 90.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.45 -56.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 132.08 -155.11 21.3 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.437 1.086 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.04 145.81 15.24 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.406 ' C ' HG12 ' A' ' 13' ' ' VAL . . . 153.2 159.21 8.95 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 13' ' ' VAL . 2.5 p 40.69 64.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.29 16.19 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.69 179.65 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.84 156.58 25.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.38 7.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.12 122.67 18.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.04 -146.15 12.91 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.53 108.15 4.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 0.731 . . . . 0.0 109.348 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 178.11 156.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 23' ' ' CYS . 1.7 m-20 59.77 155.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 1.8 p 164.62 -33.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -86.9 129.32 34.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.526 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 19.2 pt -124.92 140.47 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 56.6 t80 -100.7 126.23 47.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.0 t -111.44 116.33 52.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.67 -179.16 19.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.702 ' O ' HD23 ' A' ' 91' ' ' LEU . 8.6 m-20 52.54 64.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.008 HD23 HD22 ' A' ' 91' ' ' LEU . 14.6 mt -112.11 158.55 36.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.528 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.99 164.69 32.85 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.792 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.09 11.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -104.78 47.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 31' ' ' PRO . 8.6 tp -100.76 156.29 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -131.64 157.32 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -66.96 -40.13 87.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' GLU . 6.3 mttm -61.52 -58.66 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.82 ' O ' HG23 ' A' ' 42' ' ' VAL . 69.0 m-20 -45.83 -46.82 15.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.7 -32.79 59.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.534 ' HG3' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -68.99 -64.67 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 7.0 t0 -51.22 -30.17 16.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.6 t -57.39 -64.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.526 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 28.7 m-85 -66.74 -27.78 67.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -52.7 -19.53 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HG2' ' NH2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -61.46 -15.61 39.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -98.7 -57.98 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.72 -126.62 1.65 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.46 164.54 20.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.59 HG21 HD11 ' A' ' 52' ' ' ILE . 54.9 mt -118.71 138.19 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.7 -52.25 5.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -159.32 156.74 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.59 HD11 HG21 ' A' ' 49' ' ' ILE . 59.5 mt -135.34 138.56 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 5.4 t0 -126.68 116.14 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.513 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -115.71 123.38 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -85.58 86.61 7.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -84.29 142.19 30.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.85 107.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -178.45 -67.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.6 179.75 42.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.25 -155.2 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.5 Cg_endo -75.0 154.81 42.78 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.3 Cg_endo -75.07 133.33 16.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 18.3 p90 -130.07 154.83 47.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.513 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -155.36 167.16 31.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 13.4 m-85 -120.38 148.36 43.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.534 HG13 HG12 ' A' ' 52' ' ' ILE . 6.1 t -127.34 126.7 68.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.83 113.31 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.546 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 6.1 m-85 -84.81 161.65 19.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -74.43 -41.6 60.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -120.46 154.06 56.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.98 -43.3 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -41.82 -45.16 3.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.1 -52.79 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.46 -37.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.0 mt-10 -75.22 -69.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' GLY . 7.8 m-20 -40.29 -33.97 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.5 -59.95 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.675 HG23 HG12 ' A' ' 93' ' ' VAL . 0.6 OUTLIER -56.38 -29.18 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -86.05 -29.16 23.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -82.73 -78.1 1.06 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.535 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 26.8 mmt180 -38.8 -40.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.767 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER -39.81 98.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 100.45 39.93 3.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 59.0 t80 -92.34 152.64 19.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 0.811 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.458 ' OD1' ' CA ' ' A' ' 88' ' ' GLY . 52.5 t0 -108.32 103.66 12.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -100.04 96.94 7.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.9 t0 58.23 25.18 12.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.458 ' CA ' ' OD1' ' A' ' 85' ' ' ASP . . . 106.19 -28.0 15.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -76.48 109.04 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 0.744 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -75.2 124.17 26.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.008 HD22 HD23 ' A' ' 30' ' ' LEU . 17.5 mt -94.81 164.31 12.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -131.41 97.69 4.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.675 HG12 HG23 ' A' ' 78' ' ' VAL . 9.8 t -94.38 129.81 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -159.96 150.24 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.563 ' CE2' HG11 ' A' ' 78' ' ' VAL . 2.0 m-85 -72.05 150.12 92.38 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 123.95 8.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 111.03 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -177.51 95.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.02 125.74 11.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 110.012 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 113.22 -171.17 13.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.72 141.92 34.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 148.49 80.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.1 t -167.05 123.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -59.38 162.33 14.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.1 p -147.31 142.73 27.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 103.32 154.15 24.18 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 151.48 39.43 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.1 m 55.21 167.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.1 94.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.551 1.157 . . . . 0.0 110.981 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -145.1 87.02 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 0.735 . . . . 0.0 109.975 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 t -176.3 160.45 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.72 -121.22 2.58 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m 54.24 103.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.69 -64.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.72 118.29 1.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.84 144.52 29.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.1 p -133.8 154.27 51.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.72 171.51 40.93 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.118 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.05 120.1 1.49 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -173.0 150.49 12.41 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 14' ' ' ILE . 35.9 m -148.08 169.23 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 13' ' ' VAL . 2.2 pt -150.58 -54.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -48.59 121.9 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.249 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.49 174.03 1.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.37 20.28 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.11 97.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.79 169.23 40.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -139.37 -52.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -105.79 156.09 18.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -87.38 147.09 25.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.8 p 179.22 -39.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.81 114.81 25.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.68 HG22 ' CE1' ' A' ' 95' ' ' PHE . 8.5 pt -118.88 141.58 37.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.489 ' CE1' ' HB2' ' A' ' 63' ' ' PHE . 79.8 t80 -97.19 126.39 42.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.533 HG12 HD11 ' A' ' 30' ' ' LEU . 85.6 t -107.9 108.1 24.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.27 169.81 15.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.558 1.161 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.512 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.4 m-20 59.84 74.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.96 HD23 HD22 ' A' ' 91' ' ' LEU . 19.1 mt -125.54 161.66 49.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.509 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.98 160.35 40.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -25.17 12.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.15 25.34 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.71 HG12 HD11 ' A' ' 39' ' ' ILE . 7.4 tp -84.01 155.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.2 mtt-85 -131.36 178.73 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -86.55 -32.36 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -49.52 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.671 ' O ' HG23 ' A' ' 42' ' ' VAL . 86.4 m-20 -56.33 -49.02 75.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.71 HD11 HG12 ' A' ' 34' ' ' ILE . 87.6 mt -66.74 -17.54 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 0.9 OUTLIER -81.81 -66.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.317 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 76.6 m-20 -55.84 -25.08 40.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.2 t -61.24 -62.79 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.403 ' N ' HG12 ' A' ' 42' ' ' VAL . 25.3 m-85 -67.93 -26.32 65.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -54.52 -18.23 4.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -61.12 -15.08 29.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.438 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 42.2 m-85 -99.32 -53.25 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.55 -129.57 1.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.43 160.78 26.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.49 HD13 HD11 ' A' ' 52' ' ' ILE . 39.3 mt -117.16 144.74 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.1 -32.07 15.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -179.56 161.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.572 HG12 HG13 ' A' ' 66' ' ' VAL . 49.9 mt -136.28 116.72 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -103.46 107.07 17.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.2 tp -108.03 121.27 44.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 7.5 mmtt -74.27 -57.59 3.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 47.72 94.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ARG . 13.3 ttt180 -179.48 161.55 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ARG . 1.0 OUTLIER -38.79 139.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.86 52.68 0.23 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.74 -155.27 25.52 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.81 17.6 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 128.07 11.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 6.6 p90 -123.36 152.42 41.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.577 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -153.24 161.5 42.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 8.9 m-85 -120.64 112.49 18.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.572 HG13 HG12 ' A' ' 52' ' ' ILE . 13.4 t -90.06 136.99 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -115.14 117.46 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.614 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 14.6 m-85 -90.0 167.42 12.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -82.18 -40.31 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.82 154.62 48.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -45.91 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -43.25 -52.02 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.88 -57.17 7.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.614 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.72 -37.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 78' ' ' VAL . 2.9 mt-10 -75.44 -70.56 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -40.78 -32.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -69.41 -59.88 2.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.591 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -56.82 -30.97 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -85.8 -14.1 46.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -96.45 -81.19 1.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HB3' HG21 ' A' ' 93' ' ' VAL . 29.0 mmt180 -38.76 -32.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -47.23 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.92 23.31 6.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ARG . 8.4 t80 -78.89 138.93 38.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 0.766 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.52 100.55 10.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.569 ' HB3' HD11 ' A' ' 91' ' ' LEU . 38.5 t80 -118.83 128.35 54.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 t0 67.51 20.69 9.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.55 2.38 90.04 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -105.23 147.11 28.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.29 100.11 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.96 HD22 HD23 ' A' ' 30' ' ' LEU . 22.9 mt -69.11 158.2 35.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -127.94 111.7 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 78' ' ' VAL . 45.5 t -106.63 127.96 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -160.11 155.98 26.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.68 ' CE1' HG22 ' A' ' 25' ' ' ILE . 11.1 m-85 -72.12 148.17 91.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.58 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -171.83 128.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.4 t -109.82 151.06 27.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -146.43 141.46 9.58 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -59.24 160.67 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.62 98.45 0.14 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.6 m -148.27 83.56 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.757 . . . . 0.0 110.461 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -140.97 99.07 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.3 m -143.62 140.61 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -171.67 96.04 0.11 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 161.12 39.27 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.31 168.87 14.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.9 m 65.22 169.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.1 104.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 0.732 . . . . 0.0 110.034 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.36 115.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.77 159.99 16.46 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -112.1 148.55 33.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.991 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.28 135.14 11.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.64 175.56 14.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.65 99.96 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t -82.44 80.31 8.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.96 -90.88 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.52 157.85 8.7 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.17 117.87 1.22 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -86.8 123.95 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.307 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.5 tt -76.38 155.6 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -39.94 140.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.31 157.29 18.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -44.08 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.547 1.814 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 66.06 62.72 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.68 65.85 0.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.135 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -46.17 104.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 22' ' ' ASP . 14.0 t30 -179.57 101.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.547 ' HB2' ' CD1' ' A' ' 95' ' ' PHE . 1.4 p30 157.02 101.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 61.8 m -98.0 -30.32 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.284 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.84 130.31 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.497 ' CD1' ' CE1' ' A' ' 43' ' ' PHE . 21.5 pt -116.52 141.17 35.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -102.12 132.93 47.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -110.3 135.46 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.28 173.71 20.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.53 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.1 m-80 58.42 57.02 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.763 HD23 ' CD2' ' A' ' 91' ' ' LEU . 11.6 mt -104.44 160.96 24.31 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.445 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.03 164.58 33.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -25.42 11.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -110.38 51.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.566 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.7 tp -95.3 155.98 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.82 134.48 49.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.591 HG23 ' CG2' ' A' ' 52' ' ' ILE . 23.3 m -52.3 -34.72 48.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -69.56 -56.25 7.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.73 ' O ' HG23 ' A' ' 42' ' ' VAL . 41.4 m-20 -48.49 -36.61 15.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.566 HD11 ' CG1' ' A' ' 34' ' ' ILE . 43.5 mt -73.53 -32.35 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' LYS . 2.4 tt0 -64.49 -64.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -41.25 -48.33 3.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 38' ' ' ASP . 46.9 t -43.21 -66.39 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.622 ' HB2' HD11 ' A' ' 49' ' ' ILE . 46.5 m-85 -66.35 -34.74 78.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.057 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -52.55 -19.5 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -15.64 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -99.51 -57.59 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.9 -127.3 1.4 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.04 162.45 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.622 HD11 ' HB2' ' A' ' 43' ' ' PHE . 58.5 mt -116.94 134.02 61.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -44.38 51.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -172.74 157.48 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.591 ' CG2' HG23 ' A' ' 36' ' ' THR . 27.4 mt -128.87 111.0 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.5 m-20 -98.4 110.89 23.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' A' ' 64' ' ' ALA . 2.0 tp -113.0 125.15 54.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -72.68 -75.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.5 t30 67.91 100.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.39 167.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.71 127.19 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.47 52.74 0.05 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.59 -155.07 26.56 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.82 26.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.84 10.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.493 1.786 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.467 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 14.8 p90 -121.75 156.4 33.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -156.27 160.63 39.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -116.3 111.42 20.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 111.069 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.2 t -90.08 128.88 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -107.71 141.34 39.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 11.2 m-85 -114.03 160.01 19.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -75.8 -33.62 60.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -124.27 152.08 67.14 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -45.49 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.479 1.779 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -42.0 -63.03 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 76' ' ' ASP . 0.5 OUTLIER -56.4 -53.96 51.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -42.09 -32.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' A' ' 79' ' ' TYR . 3.5 mt-10 -81.65 -43.0 19.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' ASP . 5.7 m-20 -62.57 -33.66 75.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -68.98 -56.06 8.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.02 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -62.9 -30.75 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 3.7 m-30 -67.01 -16.71 64.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 82' ' ' ASP . . . -120.22 -68.35 0.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 6.3 mmp_? -38.31 -30.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.5 t70 -61.66 94.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 108.29 35.56 2.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 0.0 111.039 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -90.2 145.32 25.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.13 96.2 6.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -89.63 101.42 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 t70 54.15 35.41 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.92 -37.37 3.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.547 1.154 . . . . 0.0 111.068 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -69.7 105.26 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 114.42 11.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.763 ' CD2' HD23 ' A' ' 30' ' ' LEU . 41.2 mt -80.96 162.29 23.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.01 99.11 4.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.02 HG12 HG23 ' A' ' 78' ' ' VAL . 4.8 t -96.56 130.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.54 154.33 22.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.63 ' CE2' HG11 ' A' ' 78' ' ' VAL . 21.0 m-85 -78.42 150.19 76.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 125.13 9.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.84 99.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.237 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -118.86 164.31 15.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.21 82.05 1.01 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.139 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 166.24 4.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -119.68 -108.8 2.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.3 p -66.85 139.58 57.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 110.414 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 165.28 113.68 0.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.65 133.56 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 162.52 78.06 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 156.79 42.8 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.4 p -167.57 157.44 10.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 36.5 p -176.35 146.82 0.65 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 m -169.2 155.48 6.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -177.6 170.22 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.16 131.13 1.55 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.77 158.81 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.43 166.08 16.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.25 152.04 23.66 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.65 86.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.29 146.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.78 -128.64 3.35 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.35 -173.55 41.78 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.49 82.8 0.3 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.0 m -89.68 157.65 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.5 pt 43.61 -157.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 62.3 -91.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -177.42 176.82 48.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.0 -51.4 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . 176.43 108.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.79 153.83 52.58 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.05 88.57 2.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 41.29 86.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.4 m-20 -114.94 100.76 8.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . 92.0 m -78.99 -25.76 43.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.17 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -88.6 122.09 31.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.617 HD11 ' CE2' ' A' ' 43' ' ' PHE . 4.1 pt -119.99 156.95 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -117.94 138.01 52.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.6 t -118.28 130.11 73.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.19 -175.68 14.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.571 ' O ' HD23 ' A' ' 91' ' ' LEU . 0.1 OUTLIER 51.62 56.08 8.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.734 HD23 HD22 ' A' ' 91' ' ' LEU . 9.6 mt -103.92 159.79 28.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.511 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.0 166.56 28.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.66 11.8 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -107.52 48.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.616 HG12 HD22 ' A' ' 30' ' ' LEU . 8.2 tp -96.4 155.74 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -129.27 160.18 33.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.778 HG23 ' CG2' ' A' ' 52' ' ' ILE . 86.3 m -76.08 -20.22 57.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.98 -51.61 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.9 m-20 -54.75 -39.14 68.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.531 HD11 ' CG1' ' A' ' 34' ' ' ILE . 40.6 mt -73.96 -21.93 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.2 tt0 -76.46 -65.23 0.95 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -52.33 -34.86 49.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.3 t -50.67 -62.95 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.617 ' CE2' HD11 ' A' ' 25' ' ' ILE . 31.1 m-85 -70.17 -32.97 71.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -47.38 -23.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.504 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -60.36 -17.25 42.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.504 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 55.4 m-85 -95.93 -54.92 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.51 -130.79 1.69 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -120.77 166.98 12.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.453 HD12 ' HG3' ' A' ' 40' ' ' GLU . 74.9 mt -120.76 152.35 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.06 -40.58 6.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -171.74 154.19 3.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.778 ' CG2' HG23 ' A' ' 36' ' ' THR . 26.1 mt -129.34 122.54 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.9 t70 -106.49 110.43 22.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.632 HD21 HD22 ' A' ' 56' ' ' ASN . 2.1 tp -111.91 123.46 50.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 6.0 mmtt -81.25 -62.18 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.632 HD22 HD21 ' A' ' 54' ' ' LEU . 2.3 t-20 51.27 96.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 177.17 168.77 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -40.32 140.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.85 55.8 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.37 -155.28 30.89 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 171.9 17.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 125.79 9.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.527 1.804 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 17.3 p90 -120.88 157.7 29.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.509 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -156.6 160.22 39.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -118.53 120.95 39.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.64 137.0 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -111.34 109.3 19.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 3.2 m-85 -88.03 156.81 19.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -73.55 -38.77 65.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.98 151.87 58.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.96 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.7 mtt85 -39.42 -50.09 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -72.38 -52.96 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.539 ' O ' HG21 ' A' ' 25' ' ' ILE . . . -43.95 -30.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.4 mt-10 -82.5 -65.18 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 75' ' ' GLU . 74.4 m-20 -39.75 -37.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.2 -62.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.898 HG23 HG12 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -52.77 -28.24 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -80.98 -32.45 34.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.47 -72.2 1.23 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.725 ' HB3' HG21 ' A' ' 93' ' ' VAL . 28.6 mmt180 -38.14 -42.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -40.02 99.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 98.82 40.51 3.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.601 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 30.9 t80 -83.75 170.7 13.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -128.35 94.48 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -91.64 95.49 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.94 37.75 25.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 99.79 -38.92 2.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -69.16 107.65 3.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 84' ' ' TYR . 7.4 mtm180 -73.05 135.85 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.734 HD22 HD23 ' A' ' 30' ' ' LEU . 41.6 mt -103.59 161.71 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.7 97.39 4.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.898 HG12 HG23 ' A' ' 78' ' ' VAL . 2.7 t -96.4 127.54 48.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -160.09 176.9 11.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.612 ' CE2' HG11 ' A' ' 78' ' ' VAL . 14.8 m-85 -99.04 149.94 36.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.03 43.1 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -142.18 146.97 35.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.2 p -122.45 156.39 34.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 100' ' ' ARG . . . -88.89 -174.38 46.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 5.6 mtp-105 53.75 104.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 110.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 158.68 119.84 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 102' ' ' THR . 14.6 t -141.36 116.5 9.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 110.431 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.06 -147.8 5.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 m 53.71 73.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.754 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -122.18 97.37 0.6 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 121.41 6.54 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.73 94.44 2.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.02 144.92 8.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.08 162.58 15.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.977 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -174.4 170.09 3.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.38 -169.3 12.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.133 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 p -173.18 170.37 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.64 164.69 13.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.68 -125.51 5.02 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtt 48.53 95.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 0.729 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.2 p -121.34 156.03 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.998 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.06 95.88 1.67 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.25 -111.43 0.26 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.23 74.63 0.21 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.51 12.59 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.1 pt -117.49 -174.75 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? 55.79 86.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.283 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.25 -172.98 25.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -133.37 -59.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -162.45 -161.4 12.09 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -172.79 100.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -88.82 119.43 29.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -146.84 101.0 3.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 35.4 m -52.79 -35.56 56.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 108.25 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.17 133.81 35.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.82 HG22 ' CE1' ' A' ' 95' ' ' PHE . 8.9 pt -129.02 147.91 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -107.58 130.59 54.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.2 t -106.4 124.16 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.6 174.5 15.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.52 ' O ' HD23 ' A' ' 91' ' ' LEU . 40.6 m-20 48.19 81.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.912 HD23 HD22 ' A' ' 91' ' ' LEU . 22.8 mt -127.32 161.48 54.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.533 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.98 161.9 38.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.18 11.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 110.952 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.21 49.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.533 HD13 ' HG2' ' A' ' 31' ' ' PRO . 8.7 tp -98.88 155.89 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.38 147.85 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.735 HG23 ' CG2' ' A' ' 52' ' ' ILE . 89.8 m -64.86 -30.78 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.3 tptt -73.76 -53.24 10.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.947 ' O ' HG23 ' A' ' 42' ' ' VAL . 76.9 m-20 -48.97 -41.59 34.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.424 HD11 ' CG1' ' A' ' 34' ' ' ILE . 20.5 mt -69.82 -28.21 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 44' ' ' TYR . 2.8 tt0 -72.4 -50.12 28.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.69 -19.4 65.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 38' ' ' ASP . 24.9 t -71.95 -65.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -67.94 -27.6 66.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 0.3 OUTLIER -50.37 -24.99 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -58.95 -16.72 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.507 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 75.8 m-85 -99.56 -54.19 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.49 -144.34 3.89 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.06 149.21 42.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.571 HG21 HG13 ' A' ' 52' ' ' ILE . 4.5 mt -101.01 147.28 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 -33.27 12.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -174.45 149.75 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.735 ' CG2' HG23 ' A' ' 36' ' ' THR . 15.9 mt -129.02 116.92 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -103.57 112.1 24.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 64' ' ' ALA . 2.1 tp -111.94 123.55 50.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.0 mttt -92.21 78.31 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -71.53 159.35 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.98 87.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.33 155.37 2.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -57.77 149.78 32.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.22 -164.14 54.25 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 160.36 40.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.97 11.14 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.512 1.796 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 23.9 p90 -122.3 157.18 32.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.506 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.17 161.94 39.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -119.01 119.53 34.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.422 HG13 HG12 ' A' ' 52' ' ' ILE . 24.7 t -99.07 136.38 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -113.89 124.84 53.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -101.29 154.93 18.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.92 -47.09 81.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.78 151.82 52.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.97 -40.57 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -39.02 -65.68 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 74' ' ' ALA . 1.6 p30 -62.19 -43.69 98.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -43.28 -39.69 3.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 8.8 mt-10 -77.56 -52.9 8.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -54.47 -24.08 18.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 73' ' ' ASP . . . -87.09 -63.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.565 ' CG2' HG12 ' A' ' 93' ' ' VAL . 1.3 p -48.14 -36.46 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 75' ' ' GLU . 14.3 m-30 -75.62 -36.33 60.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -67.79 -80.44 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 83' ' ' GLY . 26.0 mmt180 -38.93 -41.96 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.255 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -39.98 98.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 107.62 32.4 3.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -97.75 160.83 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.02 113.61 21.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.66 ' CB ' HD11 ' A' ' 91' ' ' LEU . 34.5 t80 -120.27 120.05 34.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.39 16.17 8.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.0 -1.31 77.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -98.55 147.44 24.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -91.56 110.82 22.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.912 HD22 HD23 ' A' ' 30' ' ' LEU . 12.4 mt -84.25 162.99 19.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -132.44 101.59 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.565 HG12 ' CG2' ' A' ' 78' ' ' VAL . 84.2 t -96.3 128.53 47.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.24 166.67 29.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.82 ' CE1' HG22 ' A' ' 25' ' ' ILE . 9.1 m-85 -81.92 147.83 59.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 102.28 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.67 -49.57 4.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 p -53.64 124.26 14.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 157.01 123.88 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.99 148.0 29.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -153.03 76.16 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.1 t -122.57 145.48 48.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 178.84 172.99 43.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.31 165.75 4.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 0.754 . . . . 0.0 110.042 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -167.45 97.58 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 168.38 24.95 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.9 m -142.02 169.54 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 p -156.36 167.83 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.966 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 p -174.5 170.22 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.74 170.0 8.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.92 -136.94 5.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 p -179.3 120.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.34 163.85 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.48 106.19 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.539 1.149 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -175.3 147.36 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 0.776 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 p -150.28 -59.18 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 63.13 169.41 1.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.87 149.71 19.52 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.93 -122.23 5.02 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.6 t 52.37 84.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.0 pt -131.62 175.12 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 61.76 167.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.11 157.33 19.31 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 67.48 5.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.66 175.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -145.86 90.03 0.15 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.559 1.162 . . . . 0.0 110.961 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -152.95 -54.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -153.23 139.06 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.542 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 5.8 m-20 -150.48 88.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 17.1 p -107.42 -24.11 11.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -91.89 120.67 32.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.487 HG22 ' CE1' ' A' ' 95' ' ' PHE . 3.7 pt -121.92 147.26 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -104.56 130.13 52.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.427 HG22 HG13 ' A' ' 93' ' ' VAL . 62.2 t -116.95 113.99 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -114.85 -177.1 18.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.721 ' O ' HD23 ' A' ' 91' ' ' LEU . 2.6 m120 58.21 49.97 10.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.819 HD23 HD22 ' A' ' 91' ' ' LEU . 15.7 mt -101.16 159.93 28.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.59 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -74.97 165.8 30.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -25.15 12.08 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -102.06 41.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.59 HD13 ' HG2' ' A' ' 31' ' ' PRO . 7.7 tp -99.03 158.27 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -129.24 177.19 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.521 HG23 ' CG2' ' A' ' 52' ' ' ILE . 24.0 m -88.8 -23.21 22.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.11 -48.38 8.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.557 ' O ' HG23 ' A' ' 42' ' ' VAL . 79.7 m-20 -52.4 -37.5 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.33 -26.87 22.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.572 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.7 tt0 -71.52 -68.87 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 13.7 t70 -43.16 -34.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 38' ' ' ASP . 3.0 t -59.71 -64.65 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' CE2' HD11 ' A' ' 25' ' ' ILE . 20.1 m-85 -65.84 -25.4 67.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -57.65 -15.84 8.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HG2' ' NH2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -67.9 -16.88 64.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -97.98 -52.61 3.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.84 -143.73 3.78 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -119.06 145.4 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 43.9 mt -101.14 142.79 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -92.69 -33.65 14.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -176.3 160.45 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.572 HD11 ' HB2' ' A' ' 40' ' ' GLU . 34.1 mt -133.94 143.65 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -120.88 101.14 7.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -92.9 116.52 29.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HD2' ' CE2' ' A' ' 63' ' ' PHE . 6.0 mmtt -75.82 -78.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 t30 64.9 103.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.5 167.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.7 138.57 41.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.4 49.12 0.17 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.64 -155.33 22.07 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.49 18.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 110.97 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.43 19.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.505 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 2.9 p90 -130.87 152.64 49.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -155.91 158.63 38.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 52' ' ' ILE . 80.2 m-85 -109.74 156.14 20.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.5 t -133.21 131.16 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.55 112.05 23.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.721 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 12.4 m-85 -86.56 155.52 20.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.67 -31.81 70.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.92 153.87 81.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.03 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -40.13 -46.38 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.23 -49.04 13.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.721 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -47.16 -33.2 4.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' O ' HG12 ' A' ' 78' ' ' VAL . 3.4 mt-10 -79.54 -65.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -40.19 -36.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.32 -65.8 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.755 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.45 -30.07 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -79.66 -25.13 41.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -93.4 -75.62 1.3 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.879 ' HB3' HG21 ' A' ' 93' ' ' VAL . 67.0 mmt-85 -37.79 -39.42 0.35 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.769 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -45.87 95.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 102.87 33.3 4.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 81' ' ' ARG . 17.6 t80 -96.29 163.17 13.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 0.741 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -128.16 111.69 13.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.417 ' HB3' HD11 ' A' ' 91' ' ' LEU . 89.9 t80 -119.14 134.22 55.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.4 t0 61.38 16.18 7.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.68 -14.98 64.08 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.66 140.85 29.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 0.799 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.27 139.49 34.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.42 1.075 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.819 HD22 HD23 ' A' ' 30' ' ' LEU . 12.5 mt -111.12 159.45 17.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.54 99.21 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.879 HG21 ' HB3' ' A' ' 81' ' ' ARG . 5.9 t -97.76 129.7 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -159.95 155.77 26.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.631 ' CE2' HG11 ' A' ' 78' ' ' VAL . 6.4 m-85 -75.6 150.4 84.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 167.13 27.7 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.78 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.36 151.87 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.43 -61.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.68 -165.47 35.1 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.1 115.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.44 104.58 0.25 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.09 137.33 5.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -156.58 84.12 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.42 157.81 44.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.76 83.95 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.99 28.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.553 1.817 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.99 165.16 37.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.5 t -160.57 162.2 32.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -173.94 136.65 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.962 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -165.48 169.4 15.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.01 -136.99 4.56 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 m 56.53 163.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 0.76 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -176.02 160.45 2.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.51 173.06 14.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.72 98.63 9.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.11 134.85 11.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.68 163.59 22.08 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.76 -107.18 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.9 60.45 1.68 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.3 t -86.89 127.04 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.4 tt -73.9 142.18 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -43.07 -43.34 4.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 58.75 -177.31 2.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -43.22 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.11 87.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.72 -95.91 0.89 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -166.11 97.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 61.75 119.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -125.12 97.5 5.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.6 m -125.93 28.14 6.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 108.302 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.11 127.55 55.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.557 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 10.3 pt -123.45 151.7 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 2.2 t80 -113.72 132.23 55.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.75 135.39 53.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.55 -178.57 15.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m120 58.27 33.02 22.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.087 HD23 HD22 ' A' ' 91' ' ' LEU . 31.7 mt -84.22 159.7 58.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.461 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 18.4 Cg_endo -74.98 163.29 35.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.542 1.812 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -25.39 11.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.557 1.819 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.26 40.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.848 HG12 HD11 ' A' ' 39' ' ' ILE . 9.1 tp -89.07 156.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -131.01 142.46 50.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.469 HG23 ' CG2' ' A' ' 52' ' ' ILE . 3.8 m -55.23 -42.69 73.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -61.59 -58.08 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.898 ' O ' HG23 ' A' ' 42' ' ' VAL . 20.6 m-20 -48.91 -41.87 35.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.848 HD11 HG12 ' A' ' 34' ' ' ILE . 95.3 mt -70.2 -28.44 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.454 ' HB2' ' CD1' ' A' ' 52' ' ' ILE . 2.1 tt0 -71.1 -63.29 1.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -49.79 -30.8 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 38' ' ' ASP . 11.6 t -57.72 -66.01 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 30.6 m-85 -64.51 -23.08 67.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.28 -13.64 13.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.532 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.1 OUTLIER -64.34 -14.27 55.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.532 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 60.7 m-85 -102.88 -59.83 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -147.81 -129.73 1.93 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.553 1.158 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.87 163.07 20.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 0.767 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.419 HG21 HG13 ' A' ' 52' ' ' ILE . 12.5 mt -116.5 147.2 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.2 -32.7 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -179.09 160.16 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 36' ' ' THR . 25.9 mt -135.06 112.93 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.8 t0 -100.63 110.85 23.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.561 HD12 ' HB2' ' A' ' 64' ' ' ALA . 3.4 tp -110.22 123.16 49.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 12.4 mmtt -77.96 -63.69 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 41.74 87.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.61 77.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 57.1 162.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.56 64.24 1.33 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.5 -155.14 41.19 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.52 16.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 125.88 9.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 13.8 p90 -123.37 154.67 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.561 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -151.14 164.09 37.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -119.06 112.53 19.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.414 HG13 HG12 ' A' ' 52' ' ' ILE . 13.7 t -91.53 137.74 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -117.77 118.44 32.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.272 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.494 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 6.9 m-85 -92.82 156.63 16.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.84 -47.38 69.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.52 155.54 43.63 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' ARG . 18.2 Cg_endo -75.05 -48.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PRO . 73.5 mtt180 -38.5 -56.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.41 ' OD2' ' CE1' ' A' ' 68' ' ' PHE . 4.4 t70 -65.63 -49.46 68.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -45.16 -35.08 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . 6.1 mt-10 -80.27 -59.47 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -46.59 -25.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -79.82 -67.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.727 HG23 HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -46.7 -32.51 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 75' ' ' GLU . 11.5 m-30 -68.75 -52.19 33.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 81' ' ' ARG . . . -75.86 -68.15 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.847 ' HB3' HG21 ' A' ' 93' ' ' VAL . 4.6 mmm180 -36.75 -39.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -54.57 90.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 108.96 37.34 2.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.423 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 82.8 t80 -91.87 168.29 11.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -124.31 111.99 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -105.67 96.23 6.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 58.57 28.92 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.34 -33.12 6.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 93.5 m-85 -70.47 109.34 4.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 127.31 32.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.087 HD22 HD23 ' A' ' 30' ' ' LEU . 22.6 mt -98.38 160.99 13.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -131.81 98.66 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.847 HG21 ' HB3' ' A' ' 81' ' ' ARG . 2.8 t -97.48 136.74 27.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.11 154.55 23.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.553 ' CE2' HG11 ' A' ' 78' ' ' VAL . 2.1 m-85 -76.67 150.36 81.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 123.7 8.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -115.96 116.53 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -98.9 -57.29 2.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 112.85 -136.51 13.52 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 57.19 86.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.282 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -123.85 98.51 0.59 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 102' ' ' THR . 9.1 t -67.93 114.09 6.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.18 84.04 0.36 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.67 118.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.015 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -117.6 157.22 15.23 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.88 11.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.25 155.33 40.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 66.71 156.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.31 79.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 110.025 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -149.65 99.55 2.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.143 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.08 93.18 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.32 141.85 51.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.89 150.75 31.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.67 131.7 2.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 mtm -107.02 166.41 10.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 t -178.53 169.84 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.14 -99.28 2.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.73 -139.34 5.77 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.36 146.15 14.26 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.75 126.2 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.9 tt -48.3 -42.81 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -145.84 140.48 27.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.18 156.05 18.02 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 117.01 4.76 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.527 1.803 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.67 74.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.61 -150.99 20.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.453 1.095 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 21' ' ' ASN . 63.0 t30 -106.69 122.43 46.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 20' ' ' ASN . 5.1 m-80 61.51 128.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.11 124.94 53.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 73.0 m -150.12 31.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.307 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.54 129.54 56.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.233 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.691 HG22 ' CD1' ' A' ' 95' ' ' PHE . 15.3 pt -108.3 154.45 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 9.3 t80 -110.5 126.25 54.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -102.65 134.97 42.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.76 176.73 18.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.48 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.2 m120 53.49 54.86 9.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.78 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.0 HD23 HD22 ' A' ' 91' ' ' LEU . 18.9 mt -100.55 159.49 29.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.02 165.62 30.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -25.32 12.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -110.23 51.52 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.717 ' CG1' HD11 ' A' ' 39' ' ' ILE . 9.3 tp -96.93 156.29 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -130.39 142.81 50.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.729 HG23 ' CG2' ' A' ' 52' ' ' ILE . 90.9 m -58.06 -21.32 45.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.1 mttt -82.12 -61.47 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.53 ' O ' HG23 ' A' ' 42' ' ' VAL . 54.0 m-20 -44.3 -35.79 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.717 HD11 ' CG1' ' A' ' 34' ' ' ILE . 16.1 mt -76.17 -40.66 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.573 ' HG3' HD12 ' A' ' 49' ' ' ILE . 1.1 tt0 -60.26 -58.42 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -43.52 -51.89 6.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 38' ' ' ASP . 25.6 t -43.01 -63.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 81' ' ' ARG . 54.5 m-85 -65.49 -29.27 69.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' GLU . 4.4 t80 -57.55 -15.97 8.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -12.53 55.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -99.64 -58.57 1.9 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.19 -126.29 1.29 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.7 161.12 27.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.573 HD12 ' HG3' ' A' ' 40' ' ' GLU . 25.3 mt -110.89 139.74 33.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -86.39 -32.94 20.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.7 t0 179.33 155.67 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.729 ' CG2' HG23 ' A' ' 36' ' ' THR . 10.6 mt -130.53 119.92 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 1.9 t0 -103.76 109.12 20.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.609 HD21 HD22 ' A' ' 56' ' ' ASN . 3.2 tp -110.53 124.05 51.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -79.44 -65.04 1.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.609 HD22 HD21 ' A' ' 54' ' ' LEU . 4.0 t-20 58.09 101.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.36 155.02 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.22 154.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.27 48.71 0.91 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.2 -160.64 21.44 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 168.96 23.67 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.788 . . . . 0.0 111.066 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.25 11.28 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 63' ' ' PHE . 6.9 p90 -122.07 151.74 40.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.576 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -151.75 168.04 26.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 64.2 m-85 -122.47 118.64 28.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.4 t -98.42 127.23 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -108.42 143.18 37.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 62.2 m-85 -115.96 163.02 16.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -73.58 -25.54 60.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -137.52 158.43 72.01 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -74.98 -45.26 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -44.48 -35.12 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -85.69 -41.97 14.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 68' ' ' PHE . . . -53.86 -35.32 61.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -85.88 -55.81 3.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -40.29 -34.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HB1' ' HD1' ' A' ' 43' ' ' PHE . . . -69.66 -65.89 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.061 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.02 -32.04 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -68.91 -11.48 60.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -125.19 -69.9 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 6.0 mmp_? -38.53 -48.34 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.416 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 3.6 t0 -40.47 99.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 101.91 40.55 2.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -89.33 167.87 12.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.92 103.08 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 31' ' ' PRO . 45.9 t80 -98.32 93.74 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.4 t0 53.16 36.85 23.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 101.04 -38.33 3.19 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 111.051 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -69.43 108.91 3.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 0.742 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.02 138.9 46.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.0 HD22 HD23 ' A' ' 30' ' ' LEU . 55.4 mt -107.99 154.62 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.9 ttt-85 -125.85 97.76 5.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.061 HG12 HG23 ' A' ' 78' ' ' VAL . 8.1 t -92.91 129.56 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.13 144.75 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.691 ' CD1' HG22 ' A' ' 25' ' ' ILE . 2.5 m-85 -69.54 150.28 96.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -103.05 -57.56 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.1 t 62.81 156.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 109.959 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . 119.33 -170.53 14.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.24 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 99' ' ' GLY . . . 118.0 163.6 12.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t -96.08 141.15 29.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 0.739 . . . . 0.0 110.413 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.15 165.73 23.92 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.3 p -117.35 126.1 52.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 144.93 97.47 0.22 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.44 41.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.8 m -128.23 108.44 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 t -153.68 -59.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -175.99 151.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 0.724 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -163.95 166.69 21.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.92 130.24 2.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 p -171.29 141.55 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -131.98 142.5 49.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.15 72.29 0.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.8 mtm -152.04 133.77 14.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 p -133.58 149.54 51.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.48 112.39 0.36 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.85 153.56 24.29 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.4 -151.57 5.92 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' O ' HG23 ' A' ' 13' ' ' VAL . 26.9 m -132.23 101.38 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 tt -70.27 -46.15 72.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -132.46 163.42 28.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -111.98 -168.07 18.05 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.86 15.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.1 94.74 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 109.236 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.13 173.42 17.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.957 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -118.89 93.44 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 t30 179.04 148.78 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -114.73 147.32 39.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 15.9 p 177.21 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 108.339 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -83.73 130.09 34.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 13.1 pt -128.14 136.08 61.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -98.82 130.32 45.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 93' ' ' VAL . 22.0 t -108.95 131.85 58.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.45 173.62 19.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.536 ' O ' HD23 ' A' ' 91' ' ' LEU . 9.9 m-80 60.92 46.07 8.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.937 HD23 HD22 ' A' ' 91' ' ' LEU . 15.7 mt -94.64 159.56 33.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.52 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.5 Cg_endo -75.0 165.42 31.36 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.21 11.23 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -105.5 47.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.524 HG12 HD22 ' A' ' 30' ' ' LEU . 9.3 tp -99.57 157.04 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.571 ' O ' HD12 ' A' ' 39' ' ' ILE . 11.6 mmt180 -130.31 -179.69 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 m -88.03 -35.45 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.449 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -49.13 66.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.771 ' O ' HG23 ' A' ' 42' ' ' VAL . 29.7 m-20 -56.9 -42.79 80.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 35' ' ' ARG . 67.5 mt -71.48 -19.3 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HG3' HD12 ' A' ' 49' ' ' ILE . 2.8 tt0 -79.07 -64.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -51.65 -32.3 28.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.6 t -51.27 -62.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.688 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 41.8 m-85 -72.6 -38.72 67.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -44.35 -25.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD3' ' NH1' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -55.64 -19.17 9.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -95.14 -54.18 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.4 -130.19 1.55 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -120.81 158.47 27.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.27 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.714 HD13 HD11 ' A' ' 52' ' ' ILE . 47.7 mt -109.76 149.79 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.39 -35.56 11.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -179.05 154.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.9 HG12 HG13 ' A' ' 66' ' ' VAL . 61.3 mt -133.18 119.56 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -107.68 110.29 22.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 64' ' ' ALA . 4.6 tp -109.66 129.67 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.4 mttt -94.65 -77.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 59.16 167.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' ARG . 9.2 ttm180 75.77 126.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 57' ' ' ARG . 2.3 tmm_? 60.73 143.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 60' ' ' GLY . . . 84.91 -160.58 35.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -59.65 -146.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.97 13.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.2 8.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.485 1.781 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.424 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 18.3 p90 -123.33 155.29 37.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.788 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -148.45 157.94 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -119.48 108.24 14.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.9 HG13 HG12 ' A' ' 52' ' ' ILE . 3.6 t -93.16 139.03 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -119.81 134.52 55.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 10.0 m-85 -101.66 159.33 15.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.87 -26.91 64.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -137.71 159.83 67.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.97 -41.95 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -39.16 -62.03 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 75' ' ' GLU . 0.7 OUTLIER -66.06 -48.17 71.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.542 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -40.63 -33.04 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 77' ' ' ALA . 2.2 mt-10 -82.62 -66.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -40.41 -30.86 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 43' ' ' PHE . . . -74.33 -67.77 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.535 HG23 HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -47.19 -33.11 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -82.9 -30.69 28.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . -81.48 -77.56 1.02 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NH2' ' CD2' ' A' ' 84' ' ' TYR . 24.3 mmm180 -39.29 -40.85 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER -50.47 112.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.15 26.95 9.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.601 ' CD2' ' NH2' ' A' ' 81' ' ' ARG . 21.1 t80 -98.24 148.0 24.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.52 116.78 32.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 82.0 t80 -125.1 128.22 48.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.4 t0 59.74 22.74 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.87 -11.92 58.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.04 130.18 36.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.32 135.03 38.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.937 HD22 HD23 ' A' ' 30' ' ' LEU . 13.0 mt -106.79 163.49 12.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 97.82 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.535 HG12 HG23 ' A' ' 78' ' ' VAL . 32.1 t -94.46 127.29 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -160.01 151.15 19.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.584 ' CE1' HG22 ' A' ' 25' ' ' ILE . 10.2 m-85 -65.69 148.52 98.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 61.84 5.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.439 1.757 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.88 86.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.9 p -111.81 -68.22 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.26 141.64 2.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.22 169.21 4.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -97.9 -150.94 26.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.6 m -121.7 -62.92 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.29 126.26 4.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.37 123.71 23.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 70.49 90.82 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 24.9 p -128.84 159.35 36.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.6 80.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -165.87 -58.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.67 164.83 37.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.35 -176.78 47.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -132.59 169.74 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.767 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.32 170.31 8.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.06 119.61 0.6 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' A' ' 8' ' ' MET . 3.5 ptt? -137.76 92.0 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 m -99.1 -68.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.973 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.31 154.95 3.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.39 -166.57 27.2 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.63 166.37 16.23 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 13' ' ' VAL . 6.7 p -93.1 113.28 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 tt -77.76 155.34 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 61.38 145.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.46 162.07 33.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -74.98 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.551 1.817 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.699 ' HB2' ' HD3' ' A' ' 97' ' ' ARG . . . 67.36 162.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.73 98.59 0.82 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.545 1.153 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m120 56.71 93.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.237 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -140.78 139.38 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' CYS . 4.5 m-20 -173.86 167.71 4.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 3.9 m 82.34 -55.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 108.288 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -84.7 115.73 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.471 HG22 ' CE1' ' A' ' 95' ' ' PHE . 4.6 pt -117.41 153.81 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.534 ' HB2' ' CE1' ' A' ' 65' ' ' PHE . 13.2 t80 -110.73 129.43 55.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.587 HG22 HG13 ' A' ' 93' ' ' VAL . 61.3 t -113.69 127.19 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.88 -174.5 13.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.573 ' O ' HD23 ' A' ' 91' ' ' LEU . 8.5 m-20 52.87 52.68 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.528 HD23 HD22 ' A' ' 91' ' ' LEU . 18.3 mt -98.66 159.16 31.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 89' ' ' TYR . 18.3 Cg_endo -74.94 167.17 27.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -30.19 7.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -103.99 48.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.621 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.5 tp -96.0 155.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -130.86 136.97 49.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -51.77 -34.7 40.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -72.33 -52.53 15.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 42' ' ' VAL . 22.4 m-20 -51.59 -38.07 52.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.621 HD11 ' CG1' ' A' ' 34' ' ' ILE . 15.4 mt -73.52 -25.4 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -73.76 -68.49 0.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 12.8 t70 -40.95 -29.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.5 t -60.42 -65.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.62 ' HB2' HD11 ' A' ' 49' ' ' ILE . 54.4 m-85 -72.12 -19.26 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -57.68 -16.22 10.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HG3' ' CD1' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -73.77 -13.22 60.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.563 ' CD1' ' HG3' ' A' ' 45' ' ' LYS . 59.4 m-85 -104.21 27.22 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.64 -119.13 3.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.61 159.61 41.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.62 HD11 ' HB2' ' A' ' 43' ' ' PHE . 58.2 mt -114.05 135.23 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -73.09 -49.9 25.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -170.75 161.01 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 HG13 ' A' ' 66' ' ' VAL . 61.8 mt -132.6 134.67 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.67 102.01 9.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -89.37 113.56 24.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' CB ' ' CE2' ' A' ' 63' ' ' PHE . 1.1 mptt -78.41 -78.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 57' ' ' ARG . 3.0 p30 54.15 170.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 6.9 ttp180 83.88 65.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -174.01 163.5 4.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.17 87.37 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.2 -168.94 32.04 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.46 42.4 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.411 ' O ' HD12 ' A' ' 30' ' ' LEU . 18.3 Cg_endo -75.03 130.81 13.59 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE2' ' CB ' ' A' ' 55' ' ' LYS . 16.7 p90 -121.12 157.51 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -159.85 160.81 34.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 26' ' ' TYR . 18.0 m-85 -116.46 127.99 55.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.412 HG13 HG12 ' A' ' 52' ' ' ILE . 25.6 t -102.31 132.62 47.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -105.89 96.49 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.412 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.7 m-85 -71.79 164.59 25.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -85.23 -41.36 15.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.97 147.54 42.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.527 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.2 Cg_endo -75.05 -47.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -39.56 -40.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -84.09 -47.12 11.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -45.09 -32.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 78' ' ' VAL . 5.2 mt-10 -77.17 -70.68 0.45 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -41.32 -34.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.69 -53.81 24.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.71 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -65.5 -28.79 45.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -86.05 -13.87 46.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -100.48 -80.75 1.54 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.472 ' CZ ' HG13 ' A' ' 42' ' ' VAL . 30.7 mmt180 -38.26 -32.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 0.738 . . . . 0.0 110.309 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -44.75 106.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.56 39.81 7.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -88.23 158.32 18.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.38 97.06 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.59 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 28.2 t80 -100.69 100.56 11.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 t0 65.28 16.73 10.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.45 -21.89 27.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.559 ' CD2' ' HB3' ' A' ' 31' ' ' PRO . 75.5 m-85 -75.38 134.18 41.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 0.768 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.26 96.97 10.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 29' ' ' ASN . 44.7 mt -66.19 160.85 23.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.73 98.34 4.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.71 HG12 HG23 ' A' ' 78' ' ' VAL . 2.4 t -99.16 130.68 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.99 152.86 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 110.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.625 ' CE2' HG11 ' A' ' 78' ' ' VAL . 6.0 m-85 -72.9 150.45 90.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 80.93 2.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.699 ' HD3' ' HB2' ' A' ' 18' ' ' ALA . 1.5 mtt-85 72.61 103.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.5 p -104.97 144.69 31.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.64 64.05 0.06 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.01 118.62 18.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -173.67 122.61 0.92 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.3 -50.2 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 0.751 . . . . 0.0 110.366 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.02 175.91 20.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 89.6 p -164.14 145.97 8.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.952 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -127.41 96.97 0.45 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 152.58 40.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 81.6 p -107.65 166.49 10.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.8 m -117.35 170.54 8.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.46 135.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -122.04 101.76 7.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.31 110.32 0.32 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 p -142.49 -58.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 0.791 . . . . 0.0 109.974 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m 65.77 157.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.03 100.09 0.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.42 93.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.3 p -79.57 160.02 26.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.014 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 117.96 -168.74 13.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.13 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.4 101.94 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.22 110.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.2 t 51.7 86.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 tt -75.17 162.89 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 51.0 97.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.09 171.12 44.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 68.04 5.84 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.33 150.48 28.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.08 152.24 46.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.22 158.43 17.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -104.2 119.55 39.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.85 177.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 m 77.77 -58.51 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -88.59 116.62 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.652 HD11 ' CE1' ' A' ' 43' ' ' PHE . 5.9 pt -113.55 153.7 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -109.65 133.48 53.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.1 t -113.44 124.41 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.72 171.19 15.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.153 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.823 ' O ' HD23 ' A' ' 91' ' ' LEU . 10.3 m-20 57.71 69.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.005 HD23 HD22 ' A' ' 91' ' ' LEU . 16.1 mt -116.39 161.73 30.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.472 ' HG2' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.04 161.46 38.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -26.18 11.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.772 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.47 40.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.707 ' CG1' HD11 ' A' ' 39' ' ' ILE . 8.3 tp -91.29 155.59 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -130.06 146.75 51.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 m -63.93 -17.12 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.7 OUTLIER -85.0 -60.3 2.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.969 ' O ' HG23 ' A' ' 42' ' ' VAL . 75.2 m-20 -46.4 -37.93 8.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.707 HD11 ' CG1' ' A' ' 34' ' ' ILE . 34.5 mt -71.94 -36.41 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -59.06 -55.28 37.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' N ' ' HG2' ' A' ' 40' ' ' GLU . 75.0 m-20 -59.43 -44.32 92.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 38' ' ' ASP . 32.1 t -43.24 -52.8 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.652 ' CE1' HD11 ' A' ' 25' ' ' ILE . 26.4 m-85 -77.33 -37.1 53.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -47.88 -22.75 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 42' ' ' VAL . 6.9 ptpp? -58.32 -17.02 16.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -98.64 -57.02 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -150.68 -130.21 1.71 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -122.82 160.67 25.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 43' ' ' PHE . 48.0 mt -117.04 142.62 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -87.92 -38.13 15.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -174.16 158.54 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.8 mt -132.34 134.97 58.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 82.9 m-20 -121.91 115.73 23.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.6 tp -116.38 125.02 51.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.551 ' CB ' ' CZ ' ' A' ' 63' ' ' PHE . 1.0 OUTLIER -77.53 -60.33 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 42.79 90.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 178.08 154.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.16 167.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -48.71 173.61 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.31 170.7 46.6 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.3 Cg_endo -74.97 157.45 42.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.5 Cg_endo -75.02 132.48 15.44 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.551 ' CZ ' ' CB ' ' A' ' 55' ' ' LYS . 8.7 p90 -125.15 155.79 39.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.504 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -159.04 165.1 34.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -117.96 148.0 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.2 t -121.15 124.43 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.82 122.4 44.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.242 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 10.6 m-85 -101.47 156.31 17.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -72.94 -34.11 66.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -128.55 149.11 70.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.91 -45.75 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -42.0 -45.46 3.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.07 -39.45 33.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 71' ' ' PRO . . . -55.56 -26.61 44.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 77' ' ' ALA . 3.9 mt-10 -84.1 -61.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.39 -28.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.431 ' N ' ' C ' ' A' ' 75' ' ' GLU . . . -79.68 -69.71 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.636 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -41.56 -33.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -70.51 -56.46 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.56 -63.52 3.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.93 ' HB3' HG21 ' A' ' 93' ' ' VAL . 5.4 mmm180 -38.76 -49.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.97 97.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 109.55 36.75 2.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -101.27 156.82 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 111.016 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -124.65 109.85 13.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.496 ' HB3' HD11 ' A' ' 91' ' ' LEU . 82.6 t80 -118.99 133.84 55.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 60.73 17.62 7.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.77 -12.34 67.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -91.69 145.08 24.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.91 143.1 28.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.005 HD22 HD23 ' A' ' 30' ' ' LEU . 8.2 mt -120.2 163.74 17.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -133.8 106.2 7.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.93 HG21 ' HB3' ' A' ' 81' ' ' ARG . 25.5 t -101.23 124.93 55.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -159.82 157.51 29.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.648 ' CE1' HG22 ' A' ' 25' ' ' ILE . 26.1 m-85 -73.88 150.3 88.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.59 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -60.38 -56.81 16.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.77 91.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.74 139.63 6.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -168.59 141.75 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -108.92 172.35 16.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.9 m -111.25 -61.25 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -47.07 137.86 9.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 80.7 p -172.24 78.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -85.91 -167.44 43.48 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 96.21 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.5 m 58.9 169.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 t -61.27 -60.64 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.459 1.1 . . . . 0.0 111.016 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -172.12 95.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p -165.65 167.48 17.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.59 152.45 7.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.09 169.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.763 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.33 170.1 8.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.21 -164.18 26.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.3 mtm -138.29 127.16 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 0.804 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.99 169.38 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.91 -94.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.5 116.87 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.29 42.31 1.4 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m -140.5 50.34 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 15' ' ' ARG . 15.8 tt -53.27 -52.17 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.437 ' N ' HG23 ' A' ' 14' ' ' ILE . 4.8 ptt180 174.42 152.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.0 146.67 11.49 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.518 1.137 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -57.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.86 175.57 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.13 91.48 1.7 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.11 158.35 44.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 62.45 144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 61.42 108.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 83.4 m -122.99 30.01 6.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.278 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -121.85 122.11 38.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.57 HG21 ' HB ' ' A' ' 78' ' ' VAL . 23.5 pt -97.14 132.63 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.459 ' CE2' ' HB2' ' A' ' 63' ' ' PHE . 29.9 t80 -95.55 135.32 37.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 t -114.75 139.51 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.25 -175.98 14.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 56.3 27.25 11.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.257 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.972 HD23 HD22 ' A' ' 91' ' ' LEU . 27.2 mt -74.94 158.49 84.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.431 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.5 Cg_endo -74.95 166.45 29.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.72 7.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -104.9 48.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.668 ' CG1' HD11 ' A' ' 39' ' ' ILE . 7.9 tp -94.36 155.32 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -128.86 144.09 51.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.567 HG23 ' CG2' ' A' ' 52' ' ' ILE . 12.2 m -56.98 -26.54 60.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -76.93 -56.62 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.695 ' O ' HG23 ' A' ' 42' ' ' VAL . 39.5 m-20 -47.91 -45.69 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.668 HD11 ' CG1' ' A' ' 34' ' ' ILE . 10.7 mt -66.44 -28.31 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HA ' ' CD1' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -73.8 -67.61 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' HA ' ' CB ' ' A' ' 44' ' ' TYR . 28.7 m-20 -44.27 -28.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.6 t -59.25 -61.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.448 ' HD1' ' HB1' ' A' ' 77' ' ' ALA . 56.6 m-85 -78.33 -20.83 50.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.413 ' CB ' ' HA ' ' A' ' 41' ' ' ASP . 12.1 t80 -56.67 -16.3 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HD3' ' NH2' ' A' ' 81' ' ' ARG . 13.7 ptmt -72.87 -17.05 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -95.84 -60.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -143.89 -146.79 4.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.64 144.5 43.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.486 HD13 HD11 ' A' ' 52' ' ' ILE . 56.4 mt -98.78 139.43 20.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -91.78 -31.81 15.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.6 155.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.567 ' CG2' HG23 ' A' ' 36' ' ' THR . 46.5 mt -131.2 106.83 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -90.96 109.19 20.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.569 HD21 ' OD1' ' A' ' 56' ' ' ASN . 2.2 tp -112.0 125.41 54.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 8.0 mttt -86.93 67.5 9.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.569 ' OD1' HD21 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -65.55 101.55 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 177.74 148.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 152.66 0.49 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.98 85.53 0.68 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.58 -154.82 38.04 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 160.52 39.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.29 9.23 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 12.7 p90 -122.54 155.43 36.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 54' ' ' LEU . . . -156.82 167.27 30.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -124.38 111.96 16.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 52' ' ' ILE . 81.7 t -90.65 132.46 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.26 138.23 45.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -110.33 146.85 35.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -60.26 -47.35 86.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -110.72 156.24 40.93 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -49.82 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -42.51 -55.12 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -51.46 68.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.531 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -40.94 -39.6 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 77' ' ' ALA . 6.0 mt-10 -76.32 -62.43 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 80' ' ' GLY . 79.2 m-20 -40.43 -30.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HB1' ' HD1' ' A' ' 43' ' ' PHE . . . -75.06 -67.01 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.781 HG23 HG12 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -46.61 -33.77 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -85.17 -32.71 22.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -66.46 -65.74 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.649 ' NH1' ' CE1' ' A' ' 84' ' ' TYR . 35.5 mmt180 -67.69 -97.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 81' ' ' ARG . 1.0 OUTLIER 41.22 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.08 36.72 6.55 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.649 ' CE1' ' NH1' ' A' ' 81' ' ' ARG . 67.9 t80 -80.77 140.78 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -87.25 111.7 21.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -112.3 91.86 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 63.13 21.06 12.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.39 -23.59 26.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -79.68 117.35 20.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 110.985 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.75 137.49 39.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.972 HD22 HD23 ' A' ' 30' ' ' LEU . 12.1 mt -110.52 151.72 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.93 105.05 11.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.781 HG12 HG23 ' A' ' 78' ' ' VAL . 3.5 t -103.68 120.21 53.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -159.92 147.55 16.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.557 ' CE1' HG22 ' A' ' 25' ' ' ILE . 13.9 m-85 -66.96 147.89 98.99 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 98' ' ' SER . 18.3 Cg_endo -75.06 74.28 4.09 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 60.89 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 96' ' ' PRO . 5.7 m 73.14 87.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.13 133.73 7.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -81.68 -47.71 12.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.46 -101.6 1.33 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.3 m 39.46 82.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.739 . . . . 0.0 110.423 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -135.63 -157.12 7.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 m -175.75 153.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.74 . . . . 0.0 110.04 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.83 155.1 25.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 161.21 39.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -102.43 157.83 16.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.5 p -132.56 168.14 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 t -159.1 -59.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 0.746 . . . . 0.0 110.013 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.12 169.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.44 131.66 1.31 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.47 140.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -170.01 168.61 8.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.19 145.69 4.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.84 144.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.89 159.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.21 145.27 4.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 130.87 171.44 12.91 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.03 135.34 12.78 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.0 t -118.69 85.28 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.1 tt -80.13 141.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.22 -27.89 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 68.9 166.59 4.48 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 74.96 3.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.39 170.28 8.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.67 -121.05 3.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -110.99 -57.93 2.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -156.73 137.35 13.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.237 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.543 ' HB2' ' CD1' ' A' ' 95' ' ' PHE . 1.6 m-20 -137.16 86.04 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 71.7 m -46.31 -32.07 2.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.34 120.82 31.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.566 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 31.7 pt -106.76 153.7 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 65' ' ' PHE . 63.3 t80 -114.57 131.19 56.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 111.066 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.53 HG22 HG13 ' A' ' 93' ' ' VAL . 41.5 t -110.26 126.13 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.18 -177.78 16.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.627 ' O ' HD23 ' A' ' 91' ' ' LEU . 10.1 m120 50.29 59.53 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.98 HD23 HD22 ' A' ' 91' ' ' LEU . 29.1 mt -104.22 159.5 29.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.455 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.97 165.76 30.67 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -25.7 11.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -109.4 50.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.487 HG12 HD11 ' A' ' 39' ' ' ILE . 9.2 tp -96.87 156.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -129.23 140.94 51.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.805 HG23 ' CG2' ' A' ' 52' ' ' ILE . 46.6 m -58.12 -26.99 63.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -74.85 -55.15 6.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.828 ' O ' HG23 ' A' ' 42' ' ' VAL . 3.7 m-20 -50.54 -35.29 28.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.487 HD11 HG12 ' A' ' 34' ' ' ILE . 61.2 mt -75.34 -26.7 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.618 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.4 tt0 -71.28 -62.49 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -52.84 -36.33 58.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 38' ' ' ASP . 2.7 t -49.01 -53.59 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CE2' ' CD1' ' A' ' 25' ' ' ILE . 34.7 m-85 -81.96 -40.89 21.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -38.48 -37.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.71 -30.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -83.6 -54.74 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.21 -130.92 1.73 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.531 1.144 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.92 164.69 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 0.734 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.529 HD12 ' HG3' ' A' ' 40' ' ' GLU . 39.4 mt -114.27 156.2 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -105.51 -26.72 11.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 t0 174.9 155.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.805 ' CG2' HG23 ' A' ' 36' ' ' THR . 10.5 mt -130.96 121.83 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -105.09 109.79 21.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.547 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.8 tp -113.71 126.94 55.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 4.3 mttt -92.42 -75.01 0.5 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 55' ' ' LYS . 4.5 t-20 77.55 -65.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.2 ttt85 -55.99 93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.68 -173.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.11 143.01 20.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.501 1.125 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.69 -163.84 31.19 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 168.05 25.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 18.3 Cg_endo -75.0 132.87 15.91 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 21.0 p90 -129.11 154.4 46.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.81 159.0 36.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 51.0 m-85 -114.13 137.73 51.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.4 t -113.4 122.93 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -94.8 137.79 33.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 2.8 m-85 -112.37 148.19 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.055 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -65.9 -38.11 87.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.27 156.49 63.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -49.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -40.23 -61.63 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.34 -46.91 82.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.538 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -50.15 -28.44 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -88.8 -50.31 6.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -52.12 -30.46 26.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 81' ' ' ARG . . . -76.32 -64.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.839 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -51.63 -32.19 13.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -65.25 -18.96 65.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -118.31 -65.36 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.556 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 72.6 mmt-85 -39.13 -34.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 0.731 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.9 98.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.01 35.32 4.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.401 ' CG ' ' N ' ' A' ' 85' ' ' ASP . 66.6 t80 -84.53 165.88 17.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 25.7 t70 -116.92 95.03 4.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -90.5 95.49 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t70 56.43 30.79 17.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.68 -35.07 5.24 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.556 1.16 . . . . 0.0 111.059 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -69.01 114.74 7.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -74.0 132.19 42.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.98 HD22 HD23 ' A' ' 30' ' ' LEU . 50.7 mt -107.08 148.32 28.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.29 97.6 5.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.839 HG12 HG23 ' A' ' 78' ' ' VAL . 2.1 t -97.52 125.78 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -160.08 150.37 18.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.543 ' CD1' ' HB2' ' A' ' 22' ' ' ASP . 32.8 m-85 -70.8 145.73 92.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo -74.96 142.77 28.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -41.79 151.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -149.29 124.44 10.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -41.39 121.38 2.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.602 ' HD3' HG21 ' A' ' 102' ' ' THR . 9.4 ttm180 -112.18 113.93 26.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 0.784 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.54 ' O ' HG22 ' A' ' 102' ' ' THR . . . -72.13 -81.26 0.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.602 HG21 ' HD3' ' A' ' 100' ' ' ARG . 11.7 t 44.08 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 110.418 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 120.79 67.65 0.27 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.8 p -99.88 155.28 17.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.963 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.01 149.88 16.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.88 42.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.04 134.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m -118.68 158.94 24.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.88 92.0 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -42.01 108.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.96 -94.61 0.65 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -174.22 168.28 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.12 144.96 25.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.73 -155.72 31.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 53.1 86.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.51 149.6 39.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.18 104.14 0.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -104.5 -116.34 4.2 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.97 167.8 25.02 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 13' ' ' VAL . 2.5 p -158.89 59.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 pt -62.37 175.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 62.59 117.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.253 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.21 179.84 48.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.55 29.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -94.28 155.6 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.32 163.16 15.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -107.97 92.2 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -171.28 93.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -151.65 130.74 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.4 m -109.13 34.56 3.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -123.79 118.91 28.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.543 ' CD1' ' CE1' ' A' ' 43' ' ' PHE . 6.9 pt -113.62 128.83 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -88.86 131.49 35.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.0 t -109.89 131.7 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.33 179.61 16.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.663 ' O ' HD23 ' A' ' 91' ' ' LEU . 6.7 m-80 54.47 58.05 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.664 HD23 HD22 ' A' ' 91' ' ' LEU . 14.4 mt -108.83 158.91 32.88 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.477 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.3 Cg_endo -75.05 165.68 30.73 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.447 1.761 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -28.34 9.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -104.82 47.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.551 HG12 HD22 ' A' ' 30' ' ' LEU . 8.6 tp -96.56 155.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -128.42 148.65 50.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.776 HG23 ' CG2' ' A' ' 52' ' ' ILE . 59.5 m -64.33 -19.76 65.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -80.96 -57.28 3.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.718 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.4 m-20 -48.24 -38.49 18.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.444 HD11 HG12 ' A' ' 34' ' ' ILE . 49.8 mt -72.22 -33.22 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 37' ' ' LYS . 1.7 tt0 -63.18 -65.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 2.7 t70 -40.24 -49.36 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 38' ' ' ASP . 55.7 t -43.25 -66.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.638 ' HD1' ' HB1' ' A' ' 77' ' ' ALA . 50.8 m-85 -66.84 -50.91 61.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.519 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 0.1 OUTLIER -42.58 -27.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.541 ' HG3' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -53.09 -20.89 4.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.541 ' CD2' ' HG3' ' A' ' 45' ' ' LYS . 70.2 m-85 -96.33 -54.37 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.47 -140.57 3.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.58 148.87 43.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.423 HG22 ' H ' ' A' ' 51' ' ' ASP . 23.2 mt -103.21 146.25 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.71 -28.25 17.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.423 ' H ' HG22 ' A' ' 49' ' ' ILE . 9.8 t70 177.86 154.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.776 ' CG2' HG23 ' A' ' 36' ' ' THR . 35.2 mt -128.55 122.53 57.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -105.19 112.9 26.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 64' ' ' ALA . 1.8 tp -113.94 123.79 50.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 11.4 mttt -94.48 96.95 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -95.54 143.37 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.33 101.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.97 -63.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.24 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 169.07 176.59 39.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 39.84 -154.97 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 159.33 41.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 128.37 11.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 22.8 p90 -123.71 156.54 35.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.534 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.54 162.34 38.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -117.66 146.11 43.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.4 t -118.15 129.86 73.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -107.52 110.23 22.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.25 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.72 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 23.3 m-85 -87.73 156.76 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -73.35 -17.98 61.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.1 151.11 40.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -40.86 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.3 mtt-85 -48.37 -45.33 35.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 76' ' ' ASP . 1.5 m-20 -74.84 -55.13 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.72 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -40.33 -38.05 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -74.21 -48.16 30.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 73' ' ' ASP . 31.9 m-20 -51.03 -32.29 21.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.638 ' HB1' ' HD1' ' A' ' 43' ' ' PHE . . . -74.25 -63.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.091 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -52.04 -31.93 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -66.57 -11.63 53.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.428 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -125.27 -67.11 0.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.631 ' N ' ' HE ' ' A' ' 81' ' ' ARG . 1.2 mmp_? -40.01 -29.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.428 ' N ' ' C ' ' A' ' 80' ' ' GLY . 2.5 t0 -65.46 102.28 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.58 32.32 5.18 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -90.5 144.96 25.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.47 94.56 5.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -88.32 100.1 12.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t70 60.78 26.54 16.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.09 -29.8 11.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -73.71 109.53 7.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.11 104.18 4.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.664 HD22 HD23 ' A' ' 30' ' ' LEU . 62.7 mt -70.55 167.88 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -139.26 99.47 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.091 HG12 HG23 ' A' ' 78' ' ' VAL . 7.9 t -99.79 126.78 53.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -159.87 147.8 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.506 ' CE2' HG11 ' A' ' 78' ' ' VAL . 40.3 m-85 -68.73 150.19 97.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 76.44 3.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.88 123.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.31 97.5 3.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.48 144.94 22.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -97.5 103.29 15.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.49 73.58 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.9 t -112.12 -25.8 9.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.24 175.61 46.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.1 m -132.04 149.63 52.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.03 162.15 18.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -48.13 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 92.4 p -166.6 159.94 14.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.143 . . . . 0.0 109.998 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.8 t -160.56 98.51 1.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 111.048 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.63 110.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.84 165.53 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.46 62.04 0.22 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.15 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t 64.02 164.62 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 109.957 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -88.3 -56.74 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 110.045 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.58 128.92 5.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.55 159.1 43.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.44 160.68 43.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -178.71 166.87 36.9 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.92 -164.13 34.59 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.08 -127.23 2.02 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 m -91.85 50.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.1 pt -99.08 29.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.9 mtt-85 -128.06 152.51 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.91 -145.41 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 177.43 8.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.11 162.43 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.35 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.19 171.66 52.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 172.77 -59.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -117.6 145.29 44.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 54.1 m-20 -117.09 100.1 7.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 67.9 m -108.32 -18.61 13.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 108.321 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -102.84 135.24 44.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.444 HG22 ' CE1' ' A' ' 95' ' ' PHE . 21.4 pt -126.19 156.66 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -112.81 131.32 55.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 t -116.3 125.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.72 -176.38 14.46 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 60.64 28.33 18.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.674 HD23 HD22 ' A' ' 91' ' ' LEU . 7.1 mt -78.23 158.52 76.83 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.473 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.4 Cg_endo -75.02 167.65 26.56 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -29.79 7.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -104.36 49.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.473 HD13 ' CG ' ' A' ' 31' ' ' PRO . 9.3 tp -98.07 156.49 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.09 152.79 48.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.738 HG23 ' CG2' ' A' ' 52' ' ' ILE . 95.9 m -65.26 -22.89 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -80.85 -54.03 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.603 ' O ' HG23 ' A' ' 42' ' ' VAL . 44.2 m-20 -49.25 -39.36 30.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mt -71.66 -28.74 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' HB2' HD11 ' A' ' 52' ' ' ILE . 2.6 tt0 -70.86 -68.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -42.57 -41.2 2.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 38' ' ' ASP . 3.1 t -50.03 -65.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 27.8 m-85 -66.52 -38.42 87.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -45.63 -24.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -19.51 7.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -95.17 -55.45 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.06 -130.21 1.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.094 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.48 162.82 24.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 0.781 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.486 HG21 ' CG1' ' A' ' 52' ' ' ILE . 31.8 mt -115.27 145.68 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.08 -40.05 11.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -169.42 152.8 4.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.738 ' CG2' HG23 ' A' ' 36' ' ' THR . 32.1 mt -129.74 135.17 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 8.6 m-20 -123.6 114.17 19.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -115.41 123.39 48.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.561 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 2.5 mptt -89.38 63.41 6.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -43.26 -71.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.1 ttp85 -55.87 103.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.47 167.74 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.52 -163.37 33.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.15 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.0 -155.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 18.3 Cg_endo -75.03 154.72 42.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 61' ' ' PRO . 18.4 Cg_endo -74.95 126.21 9.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 17.5 p90 -119.01 155.22 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 111.02 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' A' ' 54' ' ' LEU . . . -157.96 163.16 38.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -117.19 149.61 40.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -125.38 127.65 72.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -109.28 121.5 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 74' ' ' ALA . 18.4 m-85 -94.71 165.57 12.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -78.55 -35.08 46.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.39 158.99 56.91 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -47.74 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -43.23 -58.81 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -58.38 -47.18 84.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 68' ' ' PHE . . . -51.42 -25.91 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.74 -55.5 3.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -51.46 -30.31 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.46 -62.86 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.1 HG23 HG12 ' A' ' 93' ' ' VAL . 0.5 OUTLIER -58.59 -31.92 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -63.73 -11.57 27.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 82' ' ' ASP . . . -121.72 -69.43 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.633 ' N ' ' HE ' ' A' ' 81' ' ' ARG . 1.4 mmp_? -39.6 -29.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 78' ' ' VAL . 11.9 t0 -63.67 92.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.22 8.39 14.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.404 ' HD2' HD12 ' A' ' 91' ' ' LEU . 8.4 t80 -64.11 163.94 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -127.7 112.65 15.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.521 ' CB ' HD11 ' A' ' 91' ' ' LEU . 41.6 t80 -132.66 127.34 34.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.3 t0 67.09 18.69 10.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.78 7.5 85.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -107.36 135.76 48.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 91.33 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.674 HD22 HD23 ' A' ' 30' ' ' LEU . 8.7 mt -56.7 152.75 11.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.87 106.91 10.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 1.1 HG12 HG23 ' A' ' 78' ' ' VAL . 4.5 t -106.65 128.29 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.99 154.32 23.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CE2' HG11 ' A' ' 78' ' ' VAL . 29.2 m-85 -78.77 150.38 75.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 93.18 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -104.64 123.03 46.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.234 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -56.86 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.983 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.92 -164.34 28.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -69.53 147.9 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -115.83 -81.2 0.9 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.5 m 57.9 71.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 110.414 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -111.04 126.18 7.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.4 p 178.86 158.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.024 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -154.19 -115.06 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 148.67 35.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 69.7 m -130.41 92.86 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.022 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.72 151.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -116.28 152.02 34.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -158.65 135.43 9.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 110.025 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.82 -74.12 0.27 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.94 140.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -84.77 120.04 25.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.74 90.64 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.89 155.27 1.82 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.767 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.12 139.94 4.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.98 -169.21 2.87 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.52 144.57 16.03 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.28 129.4 4.83 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 14' ' ' ILE . 2.5 p -150.08 132.15 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.425 ' CG1' ' O ' ' A' ' 13' ' ' VAL . 29.0 pt 46.94 -161.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -44.89 124.27 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.55 157.63 51.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 174.21 13.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.63 -58.74 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.06 76.26 0.2 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.12 -53.78 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -148.18 -55.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 62.65 99.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 71' ' ' PRO . 72.1 m -127.67 34.5 4.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -119.63 125.73 49.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.492 HG22 ' CE1' ' A' ' 95' ' ' PHE . 22.7 pt -125.22 160.36 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 69.7 t80 -120.17 128.75 53.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 50.5 t -108.7 117.66 54.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.74 178.33 18.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.664 ' O ' HD23 ' A' ' 91' ' ' LEU . 1.4 t-20 52.35 73.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.25 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.825 HD23 HD22 ' A' ' 91' ' ' LEU . 12.3 mt -117.0 159.83 39.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' CG ' HD13 ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.99 167.08 27.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -29.44 8.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -104.79 49.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.501 HG12 HD22 ' A' ' 30' ' ' LEU . 9.6 tp -96.86 156.6 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -131.62 143.16 50.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.463 ' CG2' ' CG2' ' A' ' 52' ' ' ILE . 2.3 m -55.26 -42.33 73.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -63.35 -54.2 40.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.09 -42.11 37.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.432 HD11 ' CG1' ' A' ' 34' ' ' ILE . 45.8 mt -69.61 -27.52 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.579 ' HG3' HD12 ' A' ' 49' ' ' ILE . 3.3 tt0 -73.18 -65.07 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -42.53 -49.54 5.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -43.5 -65.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.554 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 27.4 m-85 -65.09 -31.67 72.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -53.46 -18.92 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HD2' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -56.17 -18.82 11.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.555 ' CE2' ' HD2' ' A' ' 45' ' ' LYS . 45.4 m-85 -96.77 -55.36 2.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.62 -136.84 2.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.27 147.56 46.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.579 HD12 ' HG3' ' A' ' 40' ' ' GLU . 15.0 mt -96.76 145.76 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -30.03 21.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.1 t70 177.63 160.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.538 HD11 HD13 ' A' ' 49' ' ' ILE . 35.7 mt -134.44 136.39 52.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -115.11 101.06 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -95.72 118.26 32.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' CB ' ' CE2' ' A' ' 63' ' ' PHE . 11.5 mmtt -83.14 -89.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 63.35 97.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.2 ttp85 178.94 70.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 60.58 156.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.52 47.36 2.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.77 -154.76 21.78 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 126.58 10.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.476 ' CE2' ' CB ' ' A' ' 55' ' ' LYS . 17.4 p90 -119.93 154.88 33.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 54' ' ' LEU . . . -158.77 158.26 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 51.0 m-85 -112.62 149.86 32.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.34 129.92 74.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -109.75 101.94 10.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.654 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 9.3 m-85 -74.53 161.76 29.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -79.5 -17.64 53.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -141.51 154.25 66.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 18.4 Cg_endo -74.96 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PRO . 71.6 mtt180 -38.2 -58.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -59.51 -59.1 5.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.654 ' HB2' ' HB2' ' A' ' 68' ' ' PHE . . . -42.55 -34.19 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.49 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 3.8 mt-10 -78.08 -55.24 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.11 -19.79 14.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.33 -63.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.588 HG11 ' CE2' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -43.25 -34.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CD2' ' O ' ' A' ' 75' ' ' GLU . 17.0 m-85 -77.68 -44.73 27.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.59 -73.47 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.554 ' HG3' ' CE2' ' A' ' 43' ' ' PHE . 6.0 mmp_? -39.18 -41.99 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.351 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.81 96.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 81' ' ' ARG . . . 104.39 32.5 4.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' ARG . 72.0 t80 -77.52 164.42 25.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.784 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -122.74 99.95 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.484 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 24.2 t80 -97.82 93.22 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.8 t0 53.05 37.69 25.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 100.74 -39.23 2.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -68.24 105.95 2.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 0.792 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -73.04 133.11 44.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.825 HD22 HD23 ' A' ' 30' ' ' LEU . 36.0 mt -101.52 147.68 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.8 97.65 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 HG23 ' A' ' 78' ' ' VAL . 4.3 t -95.75 132.4 40.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -160.21 151.56 19.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.588 ' CE2' HG11 ' A' ' 78' ' ' VAL . 6.2 m-85 -70.38 150.32 95.77 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 68.46 5.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.478 1.778 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 60.02 87.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -62.47 1.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.86 122.99 4.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.3 114.73 23.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -110.02 175.33 18.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.2 t -137.79 125.29 22.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 172.44 113.56 0.31 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.098 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.05 168.25 12.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.964 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.17 73.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -54.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.31 168.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.964 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.6 t -137.2 -58.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.019 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.958 . . . . . . . . 0 0 . 1 stop_ save_