data_1x3b_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 1x3b _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.509 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 5.8 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.06 -57.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.405 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 25.9 mmm -59.94 -55.55 32.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.32 -46.79 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 t -48.44 -33.36 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 HD23 ' CB ' ' A' ' 47' ' ' ALA . 11.3 mt -81.08 -42.28 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HG2' ' CG1' ' A' ' 25' ' ' VAL . 11.5 mtpt -59.67 -41.27 90.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.56 -50.65 62.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.487 ' HB3' ' CD2' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -70.55 124.79 25.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 0.787 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -39.85 77.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -34.6 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.487 ' CD2' ' HB3' ' A' ' 18' ' ' ASP . 1.1 m-85 -110.76 48.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.8 p -86.95 -63.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -24.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -69.93 -53.37 18.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 16' ' ' LYS . 86.7 t -45.58 -55.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.57 -41.33 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.32 99.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 11.1 mt -64.95 -55.62 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -48.16 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -46.32 89.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.98 73.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.45 44.24 5.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mt -109.72 -22.01 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' ASN . 4.4 m -44.42 -54.33 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -53.04 -55.37 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -48.36 -49.1 35.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 10.2 mt -75.16 -16.64 60.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' THR . 6.9 t-20 -72.93 -37.98 66.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -75.93 138.91 41.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -45.78 168.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.39 -137.22 9.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -155.09 130.88 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -156.03 116.42 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 m -86.72 109.47 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.359 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.8 t -114.76 154.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 94.2 m-85 -125.07 115.21 20.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.467 ' CB ' HD23 ' A' ' 15' ' ' LEU . . . -107.26 117.11 56.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.474 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.0 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.4 p -73.93 -166.48 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -86.1 -46.18 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -14.74 61.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -57.26 -32.94 67.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -80.35 -49.42 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -49.81 -22.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.9 -39.11 61.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -52.05 139.51 33.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 18.4 Cg_endo -75.05 166.01 30.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.06 9.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.452 1.764 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -91.77 -41.06 10.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.5 tp10 -95.62 -47.01 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 57' ' ' PRO . 28.3 ttp85 -51.37 -64.81 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.8 t -45.31 -62.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' SER . 0.7 OUTLIER -37.79 -54.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mt -50.73 -60.09 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.91 -18.33 55.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.79 -94.53 1.05 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.79 129.32 40.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.92 -44.67 19.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -56.15 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.44 -31.86 73.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -70.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.69 -35.57 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -52.16 -53.84 38.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.42 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 23.9 mm -60.7 -48.36 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 10.3 mt -55.36 -45.96 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -52.93 -46.72 68.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.444 ' O ' ' CD2' ' A' ' 103' ' ' LEU . 91.8 t80 -71.32 -15.89 62.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.8 m80 -89.89 -20.95 22.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.571 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 80' ' ' GLY . 4.0 mt -101.25 147.97 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 79' ' ' ILE . . . -112.69 179.37 19.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -115.69 20.79 14.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' HG2' ' CD2' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -167.81 161.66 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.462 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.7 mm -92.27 110.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.477 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 1.6 tt -116.6 119.81 36.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.417 ' N ' HD21 ' A' ' 84' ' ' LEU . 31.5 m -137.34 158.61 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 87.2 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 84' ' ' LEU . 72.9 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -109.59 111.15 22.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.429 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 3.5 tt -93.49 118.97 32.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.407 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -71.3 111.22 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -179.23 7.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 mt -93.59 -46.32 7.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -30.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.04 -39.86 1.83 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.37 129.13 34.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 135.9 44.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 77' ' ' TYR . 30.0 mt -86.03 129.75 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.592 1.182 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -91.46 130.17 37.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 t -142.54 130.58 20.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 p -139.22 169.41 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 86' ' ' SER . 21.3 tp -128.43 112.49 14.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -137.31 140.22 41.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 5.1 m-20 57.63 18.14 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 25.4 t-20 76.75 13.61 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.1 t -107.68 139.53 29.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.415 HG21 ' CD1' ' A' ' 107' ' ' LEU . 66.2 t -98.28 141.14 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.41 148.05 45.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 2.7 p -132.75 103.97 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 3.7 m-20 75.2 27.99 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 76.72 26.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.46 142.43 30.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.18 17.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.45 HG11 ' CG ' ' A' ' 122' ' ' PRO . 52.9 t -90.69 150.34 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -80.12 -68.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -145.46 87.86 6.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.45 ' CG ' HG11 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -75.0 177.56 8.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.807 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t70 72.9 62.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.45 ' CD1' HG12 ' A' ' 131' ' ' VAL . 15.5 mt -113.47 93.11 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.6 mmt -64.96 130.01 41.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -113.36 -166.7 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.509 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 45.2 p -82.1 -33.84 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.99 46.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 168.08 -169.87 41.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.44 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 0.7 OUTLIER -134.14 170.03 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.466 ' CG2' HG21 ' A' ' 11' ' ' VAL . 25.5 t -147.88 149.3 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.579 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 65.3 m-70 -137.86 101.84 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 120' ' ' ALA . 64.3 t -60.96 130.34 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.45 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -106.87 165.95 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 20.0 p -96.51 -5.72 38.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -162.47 152.14 15.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.06 128.81 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 21.8 mt -69.15 167.65 15.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -144.55 138.01 14.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.42 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.565 1.824 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.507 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 3.0 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.457 HG22 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -36.93 -59.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 13.2 mmm -57.23 -46.52 82.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.416 ' HB2' ' N ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.09 -49.26 74.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.44 -32.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mt -78.75 -42.26 28.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' ASP . 14.9 mttt -62.6 -47.25 84.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.22 -37.54 87.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.75 129.49 34.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -75.92 -43.91 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.89 -38.36 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CZ ' HG11 ' A' ' 133' ' ' VAL . 2.2 m-85 -108.28 54.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -89.47 -67.28 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.47 -30.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 tp -64.5 -54.59 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 28' ' ' ILE . 70.2 t -45.91 -54.26 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.8 -44.07 6.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.6 93.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 63.0 mt -63.06 -58.66 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.96 -52.53 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -39.15 93.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.63 72.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.84 42.21 8.35 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 mt -109.07 -22.29 12.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.1 m -46.93 -53.03 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.37 -56.65 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -52.17 -48.31 65.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.8 mt -75.39 -4.4 39.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.3 t-20 -86.78 -24.86 24.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.79 157.03 20.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -66.03 159.12 26.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.425 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 143.31 -130.22 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' A' ' 83' ' ' ILE . 3.4 m -158.87 130.24 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -156.56 116.31 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.5 m -87.56 105.24 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -107.2 156.16 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 91.7 m-85 -130.0 113.38 14.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.147 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.45 116.89 59.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.484 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.94 173.12 15.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 p -75.21 -179.44 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.444 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.23 -45.37 56.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -15.35 58.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -66.63 -54.54 22.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.484 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 46.1 m-85 -65.43 -29.44 70.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -67.07 -27.94 67.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.239 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.59 69.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.0 mt -43.18 138.84 2.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 166.96 28.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.76 18.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.09 -33.07 15.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -96.01 -17.14 21.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.43 ' CG ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -64.25 -67.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 66' ' ' GLY . 36.7 t -58.74 -23.87 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -58.98 -50.38 74.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.3 mt -88.1 -45.17 10.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.43 HD11 ' CG ' ' A' ' 61' ' ' ARG . 23.4 mt -63.74 -16.69 61.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -106.85 -75.88 0.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.98 128.42 36.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -82.66 -50.31 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -40.82 -58.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -36.0 78.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.8 OUTLIER -52.15 -69.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -50.46 -48.66 56.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ALA . 11.0 t30 -39.69 -46.75 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.465 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 32.0 mm -70.05 -59.17 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 7.8 mt -44.05 -54.67 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -46.14 -54.49 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.56 ' CE1' HD21 ' A' ' 103' ' ' LEU . 77.0 t80 -61.35 -21.78 64.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 9.8 m80 -84.53 -19.38 33.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.617 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mt -101.33 144.97 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.42 163.39 12.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -101.46 40.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 171.54 160.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.455 ' CG2' HG13 ' A' ' 130' ' ' VAL . 4.9 mm -89.66 134.14 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.503 ' CD1' ' CG1' ' A' ' 93' ' ' VAL . 5.7 tt -141.81 119.98 12.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.22 159.56 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.995 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.503 ' CG1' ' CD1' ' A' ' 84' ' ' LEU . 35.1 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -103.8 114.93 29.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.481 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -106.42 115.75 30.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -69.46 123.6 21.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -93.28 149.89 20.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.6 -35.82 73.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.94 -19.28 51.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 114.16 -44.69 1.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.55 131.4 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 0.735 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 129.24 34.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.56 HD21 ' CE1' ' A' ' 77' ' ' TYR . 32.8 mt -85.04 155.97 21.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.03 131.57 55.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -141.83 124.9 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -138.57 174.79 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 27.3 tp -124.67 117.38 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -135.9 134.04 38.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 1.2 t-20 61.11 16.35 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 2.2 t-20 81.96 10.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.1 t -107.97 150.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.3 t -104.33 133.25 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.65 149.35 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 11.1 p -134.24 102.86 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 1.6 m-20 75.46 33.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt 71.8 25.37 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.84 138.91 25.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 132.94 15.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.474 HG12 ' CG ' ' A' ' 122' ' ' PRO . 56.5 t -87.68 146.94 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -76.27 -66.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -146.73 88.67 5.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.474 ' CG ' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -75.0 173.08 15.12 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.445 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 4.4 t70 76.62 60.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 133' ' ' VAL . 11.9 mt -113.19 93.04 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -65.84 141.63 58.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -122.76 -166.35 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.507 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 81.8 p -85.78 -23.86 27.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -158.58 48.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 163.23 -165.83 36.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.455 HG13 ' CG2' ' A' ' 83' ' ' ILE . 5.2 p -139.9 170.55 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.457 ' CG2' HG22 ' A' ' 11' ' ' VAL . 38.8 t -148.1 153.19 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 87.8 m-70 -140.4 99.83 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 120' ' ' ALA . 64.7 t -57.57 129.16 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.467 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.2 pt -106.5 171.39 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 24.3 p -118.83 30.6 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 179.39 148.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.91 110.67 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 25.5 mt -61.3 161.8 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -139.6 151.32 66.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.465 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.502 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 6.1 p . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.464 HG21 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.6 -59.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.422 ' HG2' ' CB ' ' A' ' 37' ' ' LEU . 14.4 mmm -57.49 -47.9 80.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -55.94 -48.86 74.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 t -44.78 -29.64 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 mt -85.51 -42.71 14.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 13' ' ' ASP . 15.9 mttt -59.41 -45.51 91.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.58 34.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.18 130.41 41.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.88 -34.09 59.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -44.55 -41.4 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -109.16 58.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.7 p -88.73 -54.17 4.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.2 mtp -52.91 -42.12 65.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.492 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.8 tp -53.97 -59.61 4.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 28' ' ' ILE . 79.7 t -43.08 -54.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.73 -39.02 4.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.462 ' CB ' HD23 ' A' ' 71' ' ' LEU . . . -66.36 -44.32 83.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 66.7 mt -63.03 -49.71 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -52.13 65.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -37.73 86.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.417 ' CB ' HD12 ' A' ' 75' ' ' LEU . . . -68.51 -30.91 69.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.38 34.01 15.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mt -102.13 -24.36 13.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.4 m -43.72 -50.17 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.4 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -53.99 51.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -54.33 -33.88 59.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 ' CB ' ' HG2' ' A' ' 12' ' ' MET . 22.6 mt -91.17 4.33 52.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -101.43 -21.84 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.98 151.99 23.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 155.68 7.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.439 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 141.96 -134.45 6.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 83' ' ' ILE . 11.4 m -157.56 131.52 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -155.71 117.9 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -89.4 102.37 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -104.34 156.44 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 80.4 m-85 -129.94 112.87 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.492 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.3 117.9 56.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.95 -179.14 4.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -86.48 178.22 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.68 -43.09 73.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -17.17 64.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -66.62 -58.3 5.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 71.0 m-85 -62.96 -36.68 84.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -60.15 -23.02 63.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.07 50.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 10.0 mt -54.4 141.35 53.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -74.97 175.2 11.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.4 20.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -84.67 -55.41 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.9 -15.82 63.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 2.0 ttp180 -70.36 -73.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -19.22 15.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -60.06 -45.89 91.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.7 mt -97.53 -46.77 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 75.5 mt -60.07 -28.66 67.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.15 -85.35 1.06 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.18 119.53 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.7 78.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -57.82 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.74 -29.35 69.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 HD23 ' CB ' ' A' ' 27' ' ' ALA . 1.6 tt -61.33 -65.02 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.71 -45.52 66.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -42.07 -50.71 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.407 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 31.7 mm -64.41 -56.46 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 5.0 mt -46.58 -51.93 14.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -49.4 -52.04 31.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -65.92 -19.18 65.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.0 m80 -86.26 -20.18 28.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.2 mt -101.13 147.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.55 176.56 17.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -117.03 38.04 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 178.43 158.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 42' ' ' VAL . 5.1 mm -92.25 101.86 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.451 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 2.5 tt -115.15 121.58 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.407 ' N ' HD21 ' A' ' 84' ' ' LEU . 18.7 m -136.46 175.64 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.016 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -104.94 106.01 16.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.3 116.99 27.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.1 122.12 21.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 p -92.56 177.69 6.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.5 mt -85.44 -45.68 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -47.63 -29.55 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 125.57 -40.73 1.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.45 133.82 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 133.28 35.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.7 mt -89.32 147.8 23.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.98 130.37 53.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -139.98 127.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 p -140.72 171.19 14.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.1 tp -125.44 113.86 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -137.64 135.79 36.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 12.9 t30 59.59 18.75 7.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.5 t-20 76.25 15.99 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.4 t -110.17 139.48 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.7 t -99.62 139.82 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.74 150.74 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 7.7 p -138.23 104.88 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 6.8 m-20 75.02 31.56 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 70.55 29.46 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -122.63 144.53 42.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 140.16 25.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.481 HG13 ' CG ' ' A' ' 122' ' ' PRO . 72.1 t -97.22 147.7 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -79.27 -65.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -147.6 88.62 5.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.481 ' CG ' HG13 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.99 -178.4 4.14 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.798 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.439 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 2.4 m-20 63.32 65.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.457 ' CD1' HG13 ' A' ' 131' ' ' VAL . 20.8 mt -113.23 92.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 3.6 mmt -58.93 134.7 57.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -122.15 -166.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.502 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 43.4 p -85.4 -34.63 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.449 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.59 49.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 166.54 -164.69 37.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.422 HG12 ' NE2' ' A' ' 132' ' ' HIS . 0.9 OUTLIER -141.08 170.28 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' A' ' 11' ' ' VAL . 28.9 t -148.35 147.91 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 80.3 m-70 -137.56 97.14 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 120' ' ' ALA . 89.5 t -56.78 130.99 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.476 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.1 pt -106.05 171.29 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 40.7 p -118.81 31.75 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.391 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 174.43 144.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.9 125.18 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 20.3 mt -77.53 157.77 30.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -139.2 151.48 67.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.407 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.456 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 3.7 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.407 -0.219 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.476 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.01 -56.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.0 mmm -61.41 -52.76 63.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.3 m-20 -49.75 -47.86 50.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -45.88 -36.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.403 HD22 ' CB ' ' A' ' 47' ' ' ALA . 13.6 mt -73.53 -37.96 65.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 13' ' ' ASP . 15.5 mttt -64.13 -41.11 97.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.01 -56.48 24.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.68 129.39 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -72.93 -42.34 63.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -39.99 -43.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CZ ' HG21 ' A' ' 133' ' ' VAL . 1.3 m-85 -103.8 54.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 p -89.16 -66.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.03 -31.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.74 -56.67 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.4 t -42.24 -51.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.43 -51.67 8.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.46 -55.75 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.483 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 5.1 mt -51.48 -64.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -45.29 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -50.01 68.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.05 -32.56 72.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.24 42.73 5.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.08 -20.95 13.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 38' ' ' ASN . 9.3 m -45.95 -53.69 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.4 mt-10 -54.32 -57.4 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -44.69 -50.03 10.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.72 -21.7 59.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' GLU . 8.2 t-20 -67.83 -31.09 70.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -79.75 143.71 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.62 159.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.72 -137.5 8.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.478 ' HB ' ' CD1' ' A' ' 83' ' ' ILE . 3.7 m -155.0 130.98 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -156.63 118.75 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 m -88.98 105.47 17.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.44 155.88 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 98.6 m-85 -127.91 114.05 16.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.403 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -103.72 116.82 61.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.02 -175.9 2.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -90.69 -172.15 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -75.94 -46.63 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -19.64 62.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -63.6 -58.89 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 53.2 m-85 -62.49 -34.88 77.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -64.12 -24.31 67.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.03 -43.1 59.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.6 mt -42.11 143.49 1.01 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 163.0 36.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.52 8.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.48 -32.67 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -95.9 -17.21 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -73.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.7 t -52.71 -23.04 5.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -57.65 -68.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.91 -48.34 71.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.98 -15.54 32.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -97.35 -85.32 1.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.23 141.31 57.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.37 -47.51 8.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -42.31 -67.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.47 -40.65 59.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.21 -70.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.99 -38.06 35.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -51.17 -46.02 61.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.472 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 24.4 mm -69.99 -52.25 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 8.0 mt -50.88 -53.18 34.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -47.34 -53.84 12.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.416 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 78.9 t80 -62.22 -20.53 64.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.4 m80 -84.34 -18.75 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.621 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' HB ' ' CD2' ' A' ' 98' ' ' LEU . 2.9 mt -103.17 146.84 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 79' ' ' ILE . . . -112.42 176.05 17.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -114.52 45.12 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.439 ' HG2' ' CD2' ' A' ' 95' ' ' LEU . 1.1 pt-20 171.65 158.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 42' ' ' VAL . 4.4 mm -92.06 121.14 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.453 HD11 ' CG1' ' A' ' 93' ' ' VAL . 4.4 tt -124.47 120.65 32.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 130' ' ' VAL . 31.0 m -134.88 162.0 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.453 ' CG1' HD11 ' A' ' 84' ' ' LEU . 39.5 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -105.87 106.52 17.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.439 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 1.1 tt -90.3 115.17 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.417 ' N ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -69.54 130.68 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 101' ' ' ASP . 1.4 p -105.63 149.89 25.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.453 ' CD2' ' HB ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -59.48 -47.41 85.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.416 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 5.7 tm0? -44.75 -34.82 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.96 -46.94 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' A' ' 97' ' ' SER . 0.4 OUTLIER -65.64 133.9 52.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -80.42 134.13 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.78 143.49 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -102.34 130.37 49.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.35 125.1 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 p -136.81 177.95 7.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 51.8 tp -137.25 106.7 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -133.39 143.0 48.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 13.8 m120 56.5 18.92 3.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.3 t-20 75.19 18.07 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.47 137.93 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -100.8 141.12 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.01 152.74 51.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.6 p -139.09 106.87 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 73.1 28.91 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt 73.64 30.16 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -122.88 143.5 40.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.97 18.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 120' ' ' ALA . 79.4 t -92.57 153.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -83.53 -69.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -145.04 86.57 7.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.42 ' O ' ' CB ' ' A' ' 123' ' ' ASP . 18.4 Cg_endo -74.97 177.91 7.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 2.6 t70 75.72 61.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.455 ' CD1' HG12 ' A' ' 131' ' ' VAL . 11.7 mt -115.83 93.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.6 mmt -68.5 132.34 46.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.09 -167.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.456 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 18.8 p -88.99 -9.8 50.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.66 47.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 160.32 -166.12 35.14 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.46 HG22 ' CG1' ' A' ' 85' ' ' VAL . 0.6 OUTLIER -138.39 169.99 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.476 ' CG2' HG23 ' A' ' 11' ' ' VAL . 24.5 t -148.25 149.42 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 67.5 m-70 -137.84 102.1 4.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.603 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.494 HG21 ' CZ ' ' A' ' 21' ' ' PHE . 93.5 t -59.67 122.16 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.416 HG13 ' CA ' ' A' ' 48' ' ' PRO . 43.0 pt -100.73 167.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 42.2 p -116.7 39.34 3.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.86 149.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.2 t -78.61 115.33 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 14.0 mt -65.97 158.26 28.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -143.96 146.98 36.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.472 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.522 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 7.7 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.433 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -39.59 -55.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.2 mmm -60.16 -55.28 35.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' LYS . 10.5 m-20 -49.6 -48.85 48.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 t -44.56 -34.34 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.478 HD23 ' CB ' ' A' ' 47' ' ' ALA . 12.2 mt -78.08 -40.42 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 13' ' ' ASP . 15.5 mttt -65.19 -44.82 87.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.41 -63.44 4.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.72 140.27 56.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 0.785 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -80.0 -36.67 35.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.2 -30.69 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.44 ' CZ ' HG22 ' A' ' 133' ' ' VAL . 3.5 m-85 -117.34 53.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.0 p -88.44 -68.92 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.6 mtp -41.12 -43.18 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.3 tp -49.4 -57.93 6.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.3 t -42.52 -51.34 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.25 -46.26 8.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.463 ' HB1' ' CD2' ' A' ' 71' ' ' LEU . . . -59.68 -45.33 92.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.454 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 10.6 mt -64.99 -50.5 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.55 -45.69 69.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -45.42 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.52 67.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.32 42.96 26.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mt -104.73 -23.43 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -40.52 -56.66 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -57.13 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -52.52 -34.52 50.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.5 mt -93.43 8.39 40.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.54 -19.02 13.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -87.3 145.9 26.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -54.28 142.87 24.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.76 -132.59 3.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -159.54 130.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -156.27 119.9 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.9 m -89.91 100.72 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.26 155.94 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 82.5 m-85 -128.95 109.45 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.478 ' CB ' HD23 ' A' ' 15' ' ' LEU . . . -104.06 117.75 58.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.99 -177.19 3.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.9 p -87.91 -172.22 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -51.91 11.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.15 -21.87 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -58.92 -55.16 38.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' LEU . 44.4 m-85 -62.65 -48.8 77.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -22.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.35 -39.84 58.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' PHE . 14.0 mt -49.37 142.46 10.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -75.02 172.96 15.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.47 18.05 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -93.62 -42.95 8.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.7 -18.49 51.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -69.0 -74.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -19.84 8.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -47.91 79.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 mt -90.47 -47.46 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.4 ' CD1' ' HD3' ' A' ' 61' ' ' ARG . 95.7 mt -61.43 -17.34 53.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.4 -80.93 1.54 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.01 125.2 22.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.32 -42.59 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -61.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -29.66 67.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' ' HB1' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -57.4 -69.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.88 -40.54 43.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -48.66 -47.55 40.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 26.2 mm -68.85 -53.26 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 10.8 mt -49.25 -45.99 45.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -51.74 -55.11 21.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.424 ' CE1' HD22 ' A' ' 103' ' ' LEU . 89.8 t80 -63.66 -15.41 58.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.3 m80 -88.11 -20.06 26.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.402 ' CD1' ' O ' ' A' ' 75' ' ' LEU . 3.2 mt -101.08 151.62 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.75 169.69 13.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.485 ' CG ' ' CD2' ' A' ' 98' ' ' LEU . 3.6 m-20 -100.59 12.07 38.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -166.58 165.5 16.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' A' ' 42' ' ' VAL . 8.7 mm -90.42 126.34 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.478 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 2.3 tt -131.52 119.84 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.46 171.57 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 105' ' ' VAL . 98.6 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -91.33 117.25 29.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 96' ' ' LYS . 2.5 tt -104.82 117.78 34.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.421 ' N ' HD22 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -74.95 110.18 9.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 98' ' ' LEU . 11.5 t -78.84 177.42 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.032 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.485 ' CD2' ' CG ' ' A' ' 81' ' ' ASP . 8.8 mt -82.08 -47.53 12.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -34.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.14 -43.09 1.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.78 136.6 57.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.43 126.39 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.424 HD22 ' CE1' ' A' ' 77' ' ' TYR . 49.5 mt -81.43 163.19 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.84 130.74 49.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 93' ' ' VAL . 3.4 t -142.67 124.72 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 p -129.37 174.2 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.414 ' CD1' ' CG2' ' A' ' 112' ' ' VAL . 23.3 tp -135.19 112.89 10.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -137.46 145.24 42.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.2 m120 56.59 18.57 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.8 t-20 78.32 7.36 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.1 t -105.1 142.7 17.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.414 ' CG2' ' CD1' ' A' ' 107' ' ' LEU . 68.2 t -95.95 145.79 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.03 152.54 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.73 106.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 16.1 m-20 71.56 34.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 4.8 mtmm 68.79 34.73 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -126.82 142.29 43.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.54 20.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.479 HG12 ' CG ' ' A' ' 122' ' ' PRO . 55.4 t -93.3 149.88 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -81.27 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -147.3 88.14 5.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.479 ' CG ' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.97 -178.07 3.9 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.92 65.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.451 ' CD1' HG13 ' A' ' 131' ' ' VAL . 14.5 mt -114.89 92.29 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 3.9 mmt -60.47 130.01 44.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.32 -166.2 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.522 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 17.2 p -93.56 -10.09 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -170.59 45.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 162.43 -163.7 35.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.406 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 0.7 OUTLIER -137.53 169.56 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 124' ' ' ILE . 24.7 t -149.0 145.98 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 67.9 m-70 -136.41 97.88 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 120' ' ' ALA . 92.7 t -57.18 127.56 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.447 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.3 pt -105.49 171.46 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.4 p -118.33 35.23 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 175.09 149.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 80.8 t -78.85 107.06 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 27.7 mt -56.78 157.63 5.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -141.05 151.55 62.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.509 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 20.0 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.476 HG21 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -43.91 -49.88 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.4 mmm -62.98 -55.98 21.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -50.15 -44.39 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -48.18 -33.57 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' A' ' 47' ' ' ALA . 8.7 mt -81.27 -43.02 19.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -59.64 -49.12 78.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.86 -56.19 19.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.83 122.55 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -67.86 -33.82 75.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -53.76 -26.98 26.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 133' ' ' VAL . 2.8 m-85 -118.55 44.88 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -86.94 -51.76 5.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.957 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -34.68 68.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.428 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 7.5 tp -61.09 -52.74 63.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.4 t -45.0 -51.55 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.17 -38.48 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.424 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . . . -67.04 -46.29 74.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 18.8 mt -65.51 -48.47 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -53.91 44.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -40.82 97.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' HD11 ' A' ' 75' ' ' LEU . . . -62.01 -32.32 72.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.61 41.83 9.58 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -106.91 -24.43 12.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' ASN . 15.5 m -41.91 -51.21 4.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.366 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -57.47 10.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -55.24 -28.76 55.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -95.81 3.42 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.1 t-20 -105.16 -20.44 13.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.93 145.77 31.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -57.18 136.32 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.62 -129.97 2.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.429 1.08 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -159.17 130.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -156.27 119.84 4.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 m -91.47 107.1 18.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -110.84 157.71 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 94.7 m-85 -128.82 116.07 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.464 ' CB ' HD21 ' A' ' 15' ' ' LEU . . . -108.49 117.1 55.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.97 167.14 27.71 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.756 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.9 p -67.17 -177.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -78.03 -39.7 41.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -12.05 61.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.92 -60.71 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.558 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 60.8 m-85 -60.22 -32.48 71.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -64.03 -26.97 68.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.72 -40.33 55.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.88 139.39 3.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -74.99 174.08 13.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.29 21.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -87.18 -43.89 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.19 -23.2 51.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -65.5 -76.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -53.49 -28.35 30.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -46.02 72.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -97.72 -47.01 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.82 -15.71 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -98.49 -79.64 1.47 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.03 132.9 55.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.16 -47.16 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -46.84 -56.28 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.79 -32.53 72.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.424 ' CD2' ' HB3' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -57.3 -70.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.98 -42.05 59.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -46.53 -49.15 19.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mm -65.99 -54.53 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 6.2 mt -48.37 -52.36 22.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -45.68 -51.24 12.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -64.69 -24.3 67.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 11.5 m80 -81.88 -20.65 38.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.1 mt -101.7 150.0 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.03 177.29 16.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -112.96 38.14 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 174.16 161.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 42' ' ' VAL . 8.4 mm -93.15 130.71 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.415 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 4.1 tt -136.85 120.02 16.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.63 168.84 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.992 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -104.9 113.49 27.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.454 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 1.0 OUTLIER -95.38 119.55 34.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' N ' HD21 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -69.38 127.33 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -101.71 174.36 5.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.53 -45.2 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.94 -30.39 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.54 -43.98 1.28 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.31 129.95 40.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.92 139.28 40.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.64 138.39 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.72 130.56 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.32 127.18 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 p -140.74 173.1 11.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 45.0 tp -125.29 108.32 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -129.12 138.61 51.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 58.46 19.16 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 75.17 19.33 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.9 t -114.98 143.9 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.1 144.06 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.94 150.22 45.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.455 HG23 ' CZ ' ' A' ' 46' ' ' PHE . 4.3 p -135.76 101.65 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 3.2 m-20 78.75 31.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.404 ' C ' ' OE1' ' A' ' 117' ' ' GLU . 0.0 OUTLIER 76.6 1.33 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -92.55 142.23 25.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.31 26.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 120' ' ' ALA . 96.6 t -99.4 158.4 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.422 ' N ' HG12 ' A' ' 119' ' ' VAL . . . -92.53 -81.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -124.33 87.11 54.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.37 4.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.71 64.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.449 ' CD1' HG13 ' A' ' 131' ' ' VAL . 17.0 mt -112.34 92.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 4.3 mmt -63.31 130.7 45.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -113.03 -166.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.509 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 43.8 p -90.85 -15.83 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.429 ' N ' HD21 ' A' ' 128' ' ' ASN . 0.2 OUTLIER -166.23 45.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 163.26 -167.72 37.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.471 ' CG1' HG22 ' A' ' 83' ' ' ILE . 1.7 p -133.56 170.24 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.476 ' CG2' HG21 ' A' ' 11' ' ' VAL . 24.3 t -147.89 147.58 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.585 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 69.0 m-70 -136.65 97.17 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.562 HG12 ' CZ ' ' A' ' 21' ' ' PHE . 86.8 t -58.92 126.87 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.454 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.2 pt -104.33 170.63 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 4.9 p -110.81 23.73 13.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.455 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 174.91 152.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 64.4 t -70.53 132.09 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 21.7 mt -77.52 162.77 26.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -142.5 144.54 30.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' VAL . 4.8 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -38.74 -55.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.401 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 10.5 mmm -55.54 -46.77 77.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -58.06 -48.18 80.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.42 -30.67 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -81.21 -41.22 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -60.91 -43.3 98.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.35 -53.87 42.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.72 130.89 44.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -78.08 -42.82 30.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -38.45 -43.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CZ ' HG12 ' A' ' 133' ' ' VAL . 4.5 m-85 -107.46 55.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 p -82.4 -58.99 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.952 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.13 -44.54 32.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 tp -47.63 -53.79 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 28' ' ' ILE . 38.5 t -47.37 -58.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.53 -49.25 4.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.38 -46.74 73.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 9.7 mt -64.19 -56.59 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -48.53 -42.47 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -46.71 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 -32.61 71.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.69 40.72 8.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.35 -19.2 14.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.5 m -48.31 -52.68 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.8 mt-10 -48.75 -59.12 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -45.14 -54.49 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 9.0 mt -68.41 -19.87 64.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 5.3 t-20 -70.06 -27.58 64.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -82.05 140.72 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.05 143.25 39.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.52 -133.45 3.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.122 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.441 ' CG1' HG12 ' A' ' 83' ' ' ILE . 1.6 m -154.34 130.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -157.35 117.34 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.1 m -87.85 110.16 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.1 t -113.8 157.92 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 86.0 m-85 -128.94 117.97 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.97 117.73 58.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.485 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -74.96 -179.67 5.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 p -78.67 -171.41 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -80.09 -47.65 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.07 -12.62 60.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -62.78 -49.66 74.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.419 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 38.4 m-85 -68.56 -45.37 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -55.49 -25.83 39.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.14 -46.3 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.9 mt -42.87 140.11 1.95 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 165.82 30.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.32 9.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -94.32 -41.88 9.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.7 tp10 -93.53 -47.72 6.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -62.22 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -50.55 -50.88 52.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.09 -54.84 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.84 -59.68 4.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -60.55 -17.02 43.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.369 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.8 -94.8 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -61.1 122.74 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.61 75.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.73 -64.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.84 -37.72 63.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.97 -70.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.87 -37.52 6.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -49.87 -49.84 47.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.467 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 21.8 mm -65.02 -52.14 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 7.7 mt -51.07 -49.51 60.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -50.2 -54.34 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -62.58 -17.46 60.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -87.95 -21.3 24.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.635 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.4 mt -101.49 147.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.55 169.09 12.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -106.07 39.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 171.19 162.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.441 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.7 mm -88.3 130.86 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.468 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 4.1 tt -138.51 119.81 14.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.8 m -138.12 176.84 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.974 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -90.26 114.76 26.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.44 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -104.84 113.96 27.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.5 128.84 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 p -101.3 173.2 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.74 -57.59 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -39.49 -31.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.94 -44.06 1.27 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 133.24 51.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -78.93 135.22 36.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.3 mt -88.59 133.4 34.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -96.98 130.61 44.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.98 125.89 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.1 p -131.23 178.45 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.6 tp -134.17 108.14 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.04 137.36 42.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 96.4 m-20 59.61 17.93 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.5 t-20 74.89 22.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.3 t -116.06 140.48 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 75.0 t -99.16 136.0 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.49 152.96 48.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.82 110.82 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 68.75 30.75 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 74.05 27.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -118.99 142.79 32.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.53 19.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 120' ' ' ALA . 53.5 t -91.45 151.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.473 ' CB ' HG21 ' A' ' 135' ' ' THR . . . -81.82 -69.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -143.88 87.65 7.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.434 ' CG ' HG12 ' A' ' 119' ' ' VAL . 18.1 Cg_endo -75.03 177.61 8.37 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.4 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 7.1 t0 73.8 56.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' A' ' 133' ' ' VAL . 10.4 mt -109.34 92.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.3 mmt -67.07 132.96 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.02 -169.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -93.92 2.15 56.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -175.6 49.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.0 -159.01 27.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.02 170.42 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 124' ' ' ILE . 40.4 t -147.83 152.78 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.581 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 84.7 m-70 -138.64 102.02 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.515 HG12 ' CZ ' ' A' ' 21' ' ' PHE . 98.2 t -59.89 126.95 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.448 HG13 ' HB3' ' A' ' 48' ' ' PRO . 12.9 pt -105.0 165.82 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' THR . . . . . 0.473 HG21 ' CB ' ' A' ' 120' ' ' ALA . 30.8 p -111.1 29.56 7.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 175.42 147.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.27 127.66 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.559 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 23.8 mt -75.66 161.34 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -141.13 150.38 58.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.467 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.533 1.807 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.448 ' CG2' HG21 ' A' ' 127' ' ' THR . 3.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -37.71 -51.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -47.88 79.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.0 m-20 -62.28 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -49.24 -34.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.53 -41.33 55.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CG ' HG13 ' A' ' 25' ' ' VAL . 16.6 mttt -65.38 -46.73 78.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.3 -46.15 80.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.29 137.8 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -84.46 -41.07 16.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -42.25 -41.92 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 133' ' ' VAL . 5.7 m-85 -108.01 58.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -89.17 -45.48 9.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.963 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -36.87 80.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.578 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.2 tp -58.11 -55.43 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.472 HG13 ' CG ' ' A' ' 16' ' ' LYS . 44.2 t -44.12 -54.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.12 -46.76 4.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.469 ' CB ' HD23 ' A' ' 71' ' ' LEU . . . -59.32 -45.14 92.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.481 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 26.6 mt -60.3 -57.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -52.34 47.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -45.59 93.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.418 ' HB2' ' CB ' ' A' ' 72' ' ' ALA . . . -63.12 -33.14 74.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 86.14 41.12 7.19 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 75' ' ' LEU . 2.5 mt -109.13 -18.42 13.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.736 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 m -49.95 -37.62 32.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.5 mt-10 -63.09 -58.39 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -49.03 -36.73 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 mt -81.5 -22.51 37.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLU . 2.9 t-20 -68.68 -32.84 72.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -78.71 141.95 37.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.74 155.11 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.67 -139.79 7.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -150.8 130.37 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.463 ' HB3' ' CG2' ' A' ' 79' ' ' ILE . 61.9 m-85 -156.95 117.91 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.1 m -85.44 102.05 13.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -104.82 157.25 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 95.2 m-85 -129.98 111.19 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.578 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -103.99 117.6 59.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -75.04 -172.51 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 p -91.71 -168.77 2.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.35 -52.54 8.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -14.26 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -65.68 -59.26 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 40.3 m-85 -58.79 -37.64 76.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -62.67 -26.51 68.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.71 83.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.8 mt -52.69 151.78 7.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 174.08 13.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.27 -63.09 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.88 -43.48 49.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -53.84 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' GLY . 3.8 t -44.8 -34.24 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -67.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.0 -53.7 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.71 -16.9 44.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.16 -92.57 1.04 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.64 142.47 57.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.98 -45.81 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -57.76 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.19 -41.37 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -53.18 -69.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.418 ' CB ' ' HB2' ' A' ' 31' ' ' ALA . . . -46.65 -42.12 15.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -45.3 -55.44 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 27.8 mm -58.65 -51.35 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 7.8 mt -51.21 -47.14 62.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -53.87 -49.6 68.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -69.44 -6.31 29.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.6 m80 -98.31 -21.26 16.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.649 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 43' ' ' TYR . 3.0 mt -102.0 147.16 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 95' ' ' LEU . . . -112.39 166.74 12.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -99.3 28.47 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -177.94 163.26 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.461 HG12 ' CG1' ' A' ' 42' ' ' VAL . 14.4 mm -88.88 131.35 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.464 HD12 ' CG1' ' A' ' 93' ' ' VAL . 8.6 tt -130.01 119.52 23.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.96 159.57 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.464 ' CG1' HD12 ' A' ' 84' ' ' LEU . 74.3 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -107.86 108.95 20.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.464 ' CD2' ' HA3' ' A' ' 80' ' ' GLY . 5.7 tt -93.54 133.71 36.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.43 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -88.42 109.75 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.7 t -86.37 175.2 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.56 -36.79 13.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -48.47 -32.25 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.87 -45.51 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.31 130.5 40.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 131.8 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' LEU . 10.9 mt -77.32 164.77 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -129.82 129.74 44.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.3 122.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 p -129.76 164.53 23.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.7 tp -127.45 113.17 15.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.47 146.93 46.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 45.8 m-80 56.74 19.17 4.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 7.8 t-20 76.88 11.58 2.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.54 146.62 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 66.5 t -96.56 135.3 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 149.25 50.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.051 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.72 110.76 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 67.78 31.24 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.37 34.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.41 142.87 44.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.39 20.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.477 HG13 ' CG ' ' A' ' 122' ' ' PRO . 73.9 t -92.6 146.42 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -75.84 -64.61 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -149.23 88.63 5.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.477 ' CG ' HG13 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.93 174.22 13.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.44 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 0.1 OUTLIER 75.15 58.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.464 HD11 ' CG2' ' A' ' 133' ' ' VAL . 10.4 mt -110.43 93.08 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.81 125.39 26.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -106.9 -169.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.448 HG21 ' CG2' ' A' ' 10' ' ' THR . 0.4 OUTLIER -95.77 9.06 41.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -179.45 52.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.49 -158.72 27.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.414 HG12 ' CG2' ' A' ' 83' ' ' ILE . 4.1 p -141.89 170.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 124' ' ' ILE . 39.5 t -148.78 151.97 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 87.1 m-70 -138.37 99.69 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.615 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.564 HG21 ' CZ ' ' A' ' 21' ' ' PHE . 84.1 t -57.54 129.9 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.469 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.1 pt -107.59 171.2 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 39.4 p -117.31 26.44 9.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.26 148.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 68.8 t -76.9 107.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 14.2 mt -55.89 160.88 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -141.84 152.61 62.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.509 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 5.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.477 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.02 -54.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.431 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 5.9 mmm -62.51 -49.55 74.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' LYS . 25.1 m-20 -55.18 -45.09 75.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -46.59 -28.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -87.92 -36.08 17.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' ASP . 13.2 mttt -67.52 -37.16 82.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.51 -59.43 7.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -67.64 125.99 27.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -71.19 -32.97 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.19 -37.39 4.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.561 ' CZ ' HG13 ' A' ' 133' ' ' VAL . 5.6 m-85 -113.19 49.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 p -80.72 -52.37 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -45.88 67.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 27' ' ' ALA . 9.8 tp -52.23 -55.88 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 55.4 t -41.23 -59.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -39.32 -39.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -61.25 -55.67 29.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 3.4 mt -54.58 -51.39 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.18 -47.32 72.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -49.62 68.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' CB ' HD11 ' A' ' 75' ' ' LEU . . . -59.96 -32.7 71.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 82.54 46.47 6.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mt -108.82 -14.52 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.7 m -47.65 -61.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.434 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.45 -51.0 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -51.07 -50.44 58.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 12' ' ' MET . 8.1 mt -77.58 -9.49 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.2 t-20 -90.9 19.47 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -126.47 145.19 50.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -57.09 151.35 15.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.62 -128.93 3.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.488 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.1 m -153.39 131.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -154.22 115.97 4.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' GLY . 3.6 m -94.0 101.97 14.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -107.11 154.93 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 89.1 m-85 -126.93 113.27 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.94 116.95 58.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.1 Cg_endo -75.03 -174.18 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.3 p -98.62 -176.19 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -69.83 -43.89 71.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -14.81 22.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -74.61 -67.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.56 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 70.6 m-85 -57.09 -29.11 63.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -29.99 71.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.15 -41.32 64.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 9.3 mt -43.42 135.68 3.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.02 174.65 12.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.48 20.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.815 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -82.49 -44.78 15.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -19.65 53.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -67.32 -77.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -20.1 3.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -55.7 22.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.59 -46.56 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.16 -14.95 28.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.2 -86.72 1.86 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.85 131.26 50.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.21 -47.84 15.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -40.51 -59.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.86 -41.19 95.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -67.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.67 -41.05 41.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.69 -47.97 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.7 mm -66.93 -49.6 72.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 9.4 mt -52.93 -44.86 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -54.9 -45.82 74.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.425 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 84.5 t80 -72.76 -9.24 58.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.9 m80 -96.53 -18.93 19.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.63 143.89 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -112.52 156.03 15.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -97.42 41.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 0.805 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 175.02 157.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.488 HG12 ' CG1' ' A' ' 42' ' ' VAL . 12.6 mm -92.83 125.1 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.472 HD13 ' CG1' ' A' ' 93' ' ' VAL . 2.7 tt -132.14 120.54 22.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.8 m -134.11 168.07 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.4 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.472 ' CG1' HD13 ' A' ' 84' ' ' LEU . 42.4 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -105.15 104.51 14.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.474 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.4 OUTLIER -88.92 111.9 22.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -69.94 127.42 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.67 149.16 25.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 mp -50.25 -47.09 55.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.425 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 59.5 tp60 -43.5 -37.7 2.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.11 -46.97 1.04 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.94 130.79 43.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 136.26 39.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.1 mt -92.6 143.46 26.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -94.91 130.18 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -145.51 124.96 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 p -139.18 177.26 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.4 tp -129.1 108.61 10.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.36 136.55 39.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.76 18.6 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.8 t30 72.07 22.48 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.2 t -116.74 136.32 54.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.365 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.77 136.37 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.64 152.4 51.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.033 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -137.74 104.72 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 2.5 m-20 74.11 35.24 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 2.9 mtmp? 68.77 28.98 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -120.21 140.56 30.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 134.32 17.7 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 120' ' ' ALA . 54.0 t -90.36 152.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -85.17 -71.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -140.06 87.96 12.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.91 3.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.5 65.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.445 HD13 ' CG2' ' A' ' 133' ' ' VAL . 29.1 mt -112.07 94.39 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.416 ' CE ' ' HA ' ' A' ' 125' ' ' MET . 7.0 mmt -56.76 133.33 54.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.47 -166.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.509 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 29.8 p -82.43 -42.55 18.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.95 45.99 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 172.0 -167.13 40.1 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.42 HG11 ' NE2' ' A' ' 132' ' ' HIS . 0.9 OUTLIER -136.45 170.21 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.477 ' CG2' HG23 ' A' ' 11' ' ' VAL . 15.4 t -148.69 144.2 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 79.3 m-70 -131.44 99.3 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.641 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.561 HG13 ' CZ ' ' A' ' 21' ' ' PHE . 62.0 t -60.43 123.76 13.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.453 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.3 pt -100.76 170.55 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 70.0 p -115.83 24.25 11.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.372 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.38 148.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.44 121.84 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.546 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 20.7 mt -72.29 162.09 29.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -143.88 148.58 42.95 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.564 ' CG2' ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -47.3 -51.48 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.1 mmm -60.69 -63.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -47.28 -45.59 24.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 t -45.62 -31.81 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt -81.31 -38.56 26.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.4 mtpt -62.51 -46.28 89.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.06 -47.5 60.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -80.74 132.21 35.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 0.767 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.94 -35.28 57.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.1 -39.56 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.561 ' CZ ' HG22 ' A' ' 133' ' ' VAL . 6.9 m-85 -110.5 57.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -68.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.2 mtp -40.47 -38.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 12.4 tp -58.43 -58.55 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' ILE . 22.4 t -42.68 -57.86 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.66 -44.69 4.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.432 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . . . -56.42 -44.76 80.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.485 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 7.1 mt -66.31 -50.94 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -50.54 -48.34 57.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -32.0 65.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.78 -29.26 65.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 76.56 39.65 29.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mt -106.6 -19.26 13.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' ASN . 49.7 m -44.58 -57.15 3.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -48.11 62.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -26.27 64.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 43' ' ' TYR . 9.4 mt -102.34 -1.29 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -107.11 22.15 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -121.24 141.25 51.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -46.54 129.45 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.03 -140.86 7.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.482 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -148.57 137.99 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.356 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.457 ' HB3' ' CD2' ' A' ' 37' ' ' LEU . 91.7 m-85 -156.19 116.13 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.9 m -90.43 110.97 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.7 t -115.57 157.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 91.9 m-85 -126.35 115.61 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.459 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.46 116.58 57.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.556 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.99 -177.28 3.36 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 p -93.15 172.25 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -61.83 -46.28 90.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.55 -22.84 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -64.15 -57.0 10.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 71.2 m-85 -64.06 -42.37 97.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -55.42 -20.67 12.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.17 -42.88 22.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mt -44.31 140.85 2.82 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -74.97 173.57 14.27 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -8.43 20.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -91.28 -45.89 8.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.168 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.21 -17.33 59.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -70.55 -75.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 66' ' ' GLY . 32.9 t -55.92 -24.76 39.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 1.4 mmm180 -59.35 -44.5 92.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.8 mt -96.01 -47.04 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.4 mt -60.73 -25.31 66.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -90.22 -76.93 1.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 129.06 38.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.51 -36.53 24.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.9 -56.18 17.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -62.86 -41.66 99.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -46.53 -69.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -47.01 -51.89 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' ALA . 5.0 t-20 -39.88 -46.73 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.9 mm -67.91 -52.2 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 6.3 mt -51.27 -54.73 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -44.85 -52.37 8.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.483 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 79.6 t80 -63.24 -25.49 68.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.6 m80 -80.82 -20.91 41.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.565 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.9 mt -101.59 148.9 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.02 -175.49 18.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -120.82 33.27 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -179.96 161.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.482 HG12 ' CG1' ' A' ' 42' ' ' VAL . 5.2 mm -92.17 121.51 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tt -123.49 121.63 36.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.471 ' CG1' HG22 ' A' ' 130' ' ' VAL . 18.2 m -134.18 154.84 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.4 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -108.15 106.13 16.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.428 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -90.58 115.38 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.41 ' HG3' ' CG ' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -68.84 126.12 28.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 p -91.81 178.07 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.2 mt -85.94 -22.34 27.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 99' ' ' GLN . 14.8 tp60 -79.93 1.24 28.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 99.35 -46.04 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.38 144.68 56.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.41 ' CG ' ' HG3' ' A' ' 96' ' ' LYS . 1.3 mptt -99.29 125.77 44.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.483 HD22 ' CZ ' ' A' ' 77' ' ' TYR . 16.8 mt -76.81 155.97 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -109.55 132.39 54.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.55 129.59 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.84 166.06 25.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.044 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.8 tp -121.12 111.41 17.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -135.68 137.54 41.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 90.2 m-20 60.5 18.72 8.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 3.9 t-20 76.22 11.58 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.81 139.93 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.3 t -96.58 143.76 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.58 153.0 51.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.67 104.45 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 74.21 35.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt 70.05 25.53 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -117.31 140.84 27.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.86 15.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 120' ' ' ALA . 93.8 t -91.2 158.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.422 ' N ' HG13 ' A' ' 119' ' ' VAL . . . -89.46 -77.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -131.64 86.04 50.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.85 5.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 t0 69.41 60.21 0.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.45 ' CD1' HG13 ' A' ' 131' ' ' VAL . 19.5 mt -110.41 92.7 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.86 130.49 43.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 129' ' ' GLY . . . -114.06 171.55 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 58.6 p -71.59 -14.34 62.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.31 49.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 126' ' ' ALA . . . 155.32 -173.04 33.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' A' ' 83' ' ' ILE . 4.5 p -131.48 170.21 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.564 ' CG2' ' CG2' ' A' ' 11' ' ' VAL . 26.1 t -148.48 153.6 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.587 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 53.5 m-70 -141.05 98.41 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.561 HG22 ' CZ ' ' A' ' 21' ' ' PHE . 88.2 t -58.84 120.56 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.476 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.2 pt -99.18 171.49 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.2 p -119.86 22.43 11.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -169.33 147.64 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 67.2 t -75.74 114.41 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 17.0 mt -68.11 157.89 34.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -142.91 148.17 44.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' VAL . 3.7 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -38.85 -53.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 8.3 mmm -57.9 -45.73 86.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -57.99 -41.54 83.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.6 -28.99 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.34 -35.5 30.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -69.36 -46.14 67.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.6 -49.91 59.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.18 125.82 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.364 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -73.81 -33.62 64.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -48.81 -39.61 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.463 ' CZ ' HG12 ' A' ' 133' ' ' VAL . 9.9 m-85 -107.91 54.74 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.7 p -87.89 -61.41 1.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.953 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.56 -27.79 0.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.5 tp -67.56 -57.92 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.4 t -42.87 -52.26 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.16 -47.73 6.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.453 ' HB1' ' CD2' ' A' ' 71' ' ' LEU . . . -59.2 -46.58 88.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.477 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 70.3 mt -63.43 -52.8 53.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.87 -43.42 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -43.87 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.13 72.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.43 40.14 7.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 mt -106.99 -16.98 14.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -48.23 -36.82 14.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -55.89 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -55.14 -21.55 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 mt -103.58 8.06 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.83 18.62 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -115.45 148.77 39.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.47 114.98 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.07 -137.78 4.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.8 m -148.18 135.78 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -156.14 117.09 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 m -92.13 105.02 17.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.87 157.4 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 72.8 m-85 -126.81 112.86 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.506 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.87 116.37 59.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.97 -170.8 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.531 1.806 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 p -94.28 -177.94 4.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -69.83 -48.54 58.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.92 -26.74 64.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -57.93 -59.91 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 50.0 m-85 -60.61 -39.04 86.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -61.27 -22.32 64.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.34 -39.48 65.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 mt -45.89 146.16 2.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -2.46 12.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.5 -61.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.09 -42.21 63.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -55.91 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -49.24 -22.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -69.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -56.18 -54.51 44.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.73 -20.96 62.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.07 -88.8 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.79 138.62 58.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.246 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.01 -44.35 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.76 -62.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.23 -33.09 67.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.453 ' CD2' ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -61.51 -70.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.18 -36.47 19.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -50.71 -54.44 23.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -61.24 -52.62 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 7.1 mt -50.57 -45.82 57.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -54.52 -50.75 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.427 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 81.2 t80 -70.68 -4.39 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.2 m80 -101.12 -19.77 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.586 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CD1' ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.82 146.51 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.417 ' N ' HG21 ' A' ' 79' ' ' ILE . . . -114.81 154.01 17.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.047 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.493 ' CG ' ' CD1' ' A' ' 98' ' ' LEU . 5.7 m-20 -94.19 41.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 172.96 160.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.4 mm -89.41 136.53 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.471 HD13 ' CG1' ' A' ' 93' ' ' VAL . 5.4 tt -139.35 119.76 13.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.46 ' CG1' HG21 ' A' ' 130' ' ' VAL . 15.9 m -137.75 157.01 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.935 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.471 ' CG1' HD13 ' A' ' 84' ' ' LEU . 90.8 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -92.96 117.76 30.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 tt -103.84 116.99 33.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.07 110.65 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 154.11 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.493 ' CD1' ' CG ' ' A' ' 81' ' ' ASP . 5.2 mp -63.2 -32.0 73.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.427 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -56.28 -33.57 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.21 -47.03 1.04 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.53 127.96 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 134.16 44.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.4 136.73 32.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.53 130.0 39.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.48 124.04 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 p -134.32 174.12 10.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.0 tp -128.05 112.14 14.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -137.79 139.75 40.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 10.7 t-20 58.03 17.57 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER 75.92 19.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 t -114.16 148.53 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.32 140.63 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.1 153.47 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.1 p -135.72 116.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 64.15 26.71 13.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.32 35.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -126.53 142.73 43.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.09 19.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.475 HG13 ' CG ' ' A' ' 122' ' ' PRO . 59.7 t -93.77 146.85 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.437 ' N ' HG11 ' A' ' 119' ' ' VAL . . . -78.39 -65.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -146.86 89.16 5.75 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.475 ' CG ' HG13 ' A' ' 119' ' ' VAL . 18.2 Cg_endo -74.98 -177.5 3.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.41 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 9.3 m-20 63.91 65.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.449 ' CD1' HG12 ' A' ' 131' ' ' VAL . 13.1 mt -116.76 93.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.55 125.19 24.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -105.8 -170.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 127' ' ' THR . 0.4 OUTLIER -94.74 10.65 34.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 176.03 49.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 149.73 -157.17 27.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.46 HG21 ' CG1' ' A' ' 85' ' ' VAL . 9.9 p -142.23 170.1 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.449 HG12 ' CD1' ' A' ' 124' ' ' ILE . 29.3 t -148.83 150.77 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.606 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 84.7 m-70 -139.11 96.86 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.463 HG12 ' CZ ' ' A' ' 21' ' ' PHE . 67.7 t -56.99 127.74 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.444 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.2 pt -105.75 170.58 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.7 p -115.23 23.9 12.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.1 142.85 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.59 124.96 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 21.3 mt -73.62 162.49 29.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -141.23 153.99 67.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.018 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.523 ' CG2' ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -40.69 -51.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 1.9 mmm -61.33 -62.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.8 t0 -46.99 -44.17 19.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 11' ' ' VAL . 2.8 t -47.34 -36.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -74.63 -34.24 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' ASP . 3.8 mtpt -64.37 -36.67 84.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.31 -55.7 28.67 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.58 133.25 46.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -77.86 -35.34 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -45.27 -42.95 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.529 ' CZ ' HG11 ' A' ' 133' ' ' VAL . 3.0 m-85 -103.72 49.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.1 m -80.97 -67.49 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.2 mtp -40.55 -37.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.497 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 8.3 tp -60.37 -52.31 65.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.43 HG23 ' CG ' ' A' ' 16' ' ' LYS . 8.0 t -46.77 -59.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -40.09 -43.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.48 -60.7 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.47 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 3.2 mt -49.44 -55.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -46.55 52.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -47.25 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.14 -33.23 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.63 36.99 9.87 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 mt -100.31 -22.47 15.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.8 m -44.8 -57.19 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -43.24 -58.17 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -49.13 -54.47 16.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' A' ' 12' ' ' MET . 5.4 mt -69.57 -9.1 52.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.9 t-20 -81.76 -23.44 36.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -87.39 146.27 25.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.77 151.29 14.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.25 -135.08 5.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.412 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.4 m -154.53 130.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -156.31 117.39 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 m -88.83 107.11 18.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 t -109.65 157.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.596 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 94.3 m-85 -127.71 113.7 16.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.497 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.59 116.56 58.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.554 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.1 Cg_endo -75.0 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 p -86.57 -171.9 3.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.66 -44.65 27.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.31 -25.61 68.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -55.02 -64.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.554 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 51.5 m-85 -54.49 -50.39 67.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -23.9 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.8 70.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -57.14 149.52 45.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.85 13.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.26 -61.4 1.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.16 -44.39 64.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' C ' ' N ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -54.93 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -43.97 -27.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -69.53 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.26 -50.01 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -64.09 -16.56 62.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.47 -88.61 1.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.29 136.85 58.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -82.85 -47.12 12.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -61.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -28.87 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.9 OUTLIER -62.32 -66.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.13 -41.16 62.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.41 -48.54 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.468 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 31.0 mm -67.69 -56.91 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 5.7 mt -45.55 -50.4 13.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -49.28 -52.74 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -64.63 -19.05 65.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -86.47 -20.7 27.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 80' ' ' GLY . 3.4 mt -102.09 143.66 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.419 ' N ' HG21 ' A' ' 79' ' ' ILE . . . -112.43 170.76 13.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -112.64 48.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 170.94 156.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.412 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.8 mm -92.05 108.13 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.449 HD12 ' CG1' ' A' ' 93' ' ' VAL . 6.8 tt -120.31 121.99 39.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.223 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.479 ' CG1' HG21 ' A' ' 130' ' ' VAL . 25.6 m -136.71 171.27 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 84' ' ' LEU . 17.7 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.83 106.41 16.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.435 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -88.66 115.84 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -69.3 122.87 19.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.0 t -98.87 -178.53 3.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 mt -88.73 -45.92 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -48.84 -30.49 5.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.01 -46.23 1.09 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.39 132.28 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.62 133.58 35.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 95' ' ' LEU . 8.3 mt -85.01 134.14 34.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.29 130.22 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.31 125.41 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 p -135.47 178.07 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 45.2 tp -135.08 106.51 6.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -129.55 138.27 51.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 15.9 t30 59.98 18.33 7.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 19.3 t30 76.8 14.6 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t -109.83 150.52 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.2 t -104.17 145.82 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.89 150.76 43.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.4 p -136.71 105.8 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 73.97 32.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 71.89 29.04 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -120.67 140.03 29.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.1 18.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 120' ' ' ALA . 98.8 t -94.08 158.2 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -87.29 -79.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.75 85.96 59.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 123' ' ' ASP . 18.4 Cg_endo -74.96 172.95 15.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 8.7 t0 75.92 56.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.434 ' CD1' HG11 ' A' ' 131' ' ' VAL . 14.5 mt -109.84 92.66 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.92 131.22 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -109.31 -176.57 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.9 p -79.85 -10.4 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -164.82 51.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.47 -167.8 30.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.479 HG21 ' CG1' ' A' ' 85' ' ' VAL . 1.8 p -133.55 170.4 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.523 ' CG2' ' CG2' ' A' ' 11' ' ' VAL . 30.2 t -147.51 156.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.596 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 81.3 m-70 -143.95 99.03 3.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.417 1.073 . . . . 0.0 109.614 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.529 HG11 ' CZ ' ' A' ' 21' ' ' PHE . 90.6 t -59.82 122.0 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.455 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.3 pt -100.48 171.08 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 40.7 p -119.09 21.98 12.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.43 138.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.68 121.6 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 16.8 mt -72.26 164.81 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -141.77 157.66 64.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.468 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.508 1.793 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' VAL . 2.9 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 131' ' ' VAL . 0.1 OUTLIER -36.61 -53.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.423 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 7.7 mmm -58.87 -51.86 68.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -45.11 67.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.0 -25.63 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.94 -35.32 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -70.92 -36.06 72.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.55 -43.13 98.5 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.05 129.96 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -73.71 -29.78 62.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.46 -41.83 53.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CZ ' HG22 ' A' ' 133' ' ' VAL . 7.9 m-85 -104.17 51.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 p -82.24 -66.23 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 78.5 mtp -40.44 -42.73 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 12.1 tp -56.43 -57.88 10.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.7 t -41.01 -56.11 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.98 -49.78 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.364 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.73 -51.14 41.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.477 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 68.3 mt -64.11 -62.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.71 -41.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -44.14 51.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . -61.67 -30.36 70.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.67 31.64 29.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -93.57 -20.99 19.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASN . 17.4 m -43.69 -62.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.3 -61.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 m -45.43 -60.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.75 -13.87 37.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.1 m-20 -91.54 21.24 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -127.91 143.38 51.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -55.48 139.08 44.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.51 -139.0 6.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 83' ' ' ILE . 3.7 m -143.41 130.23 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -156.44 116.11 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.3 m -93.96 100.83 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -102.82 156.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.605 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 81.0 m-85 -129.23 110.76 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.541 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -104.01 116.68 61.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.479 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.0 -163.18 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -101.04 -163.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -82.88 -50.65 8.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.35 -11.46 42.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -68.91 -48.07 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 31.1 m-85 -68.3 -45.31 73.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -51.01 -25.18 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.76 85.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.1 mt -53.64 150.0 14.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.4 Cg_endo -74.94 162.04 37.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.92 7.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.496 ' O ' ' CD ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -97.91 -33.69 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.8 -29.62 14.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -50.41 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.8 t -55.36 -45.34 76.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -44.29 -63.95 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.04 -50.31 66.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.97 -14.92 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -96.0 -87.83 1.78 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.68 128.64 37.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -81.77 -44.99 16.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.18 -57.98 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.65 -27.56 69.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ALA . 1.1 tt -67.03 -70.0 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.26 -35.22 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -55.27 -51.13 67.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 20.6 mm -63.48 -45.75 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 18.2 mt -58.58 -42.58 88.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -52.61 -49.71 64.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 103' ' ' LEU . 86.8 t80 -66.09 -17.2 64.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 13.8 m80 -89.9 -24.28 21.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.609 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 80' ' ' GLY . 3.7 mt -101.52 144.06 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -112.22 174.79 16.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -111.37 38.88 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 173.45 157.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 42' ' ' VAL . 10.1 mm -89.58 130.52 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.51 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 3.0 tt -136.63 119.71 16.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.6 m -136.42 152.78 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.957 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.485 ' CG1' ' CD1' ' A' ' 84' ' ' LEU . 99.5 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -88.49 117.59 27.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.53 124.94 50.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 128.28 33.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -99.45 178.85 4.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.0 mt -86.85 -33.21 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -18.85 57.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.337 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 113.83 -37.42 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.24 141.36 43.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.93 123.79 35.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 77' ' ' TYR . 3.0 mt -78.32 141.63 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -97.08 132.43 42.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 93' ' ' VAL . 3.0 t -139.04 122.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -133.24 167.93 19.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.3 tp -123.6 111.76 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -135.28 138.31 43.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 4.6 m120 58.94 18.72 6.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.4 t-20 75.81 16.47 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.5 t -111.18 141.47 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.8 t -97.97 141.43 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.44 154.86 51.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 5.2 p -137.38 104.12 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 5.9 m-20 76.95 33.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.1 mttp 71.34 24.97 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -116.87 140.87 27.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.1 16.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 120' ' ' ALA . 71.0 t -87.8 156.26 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.424 ' N ' HG13 ' A' ' 119' ' ' VAL . . . -86.99 -73.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.79 86.84 17.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.153 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 t70 74.13 55.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.439 ' CD1' HG13 ' A' ' 131' ' ' VAL . 11.1 mt -110.85 92.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -73.02 137.61 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.4 -166.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 10' ' ' THR . 9.7 p -85.99 -2.85 58.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -178.89 44.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.239 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 166.82 -170.72 41.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.1 p -135.93 169.97 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 11' ' ' VAL . 20.5 t -148.85 151.09 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.605 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 86.5 m-70 -138.28 96.78 3.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.625 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.504 HG22 ' CZ ' ' A' ' 21' ' ' PHE . 86.5 t -56.75 124.55 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.471 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.1 pt -101.98 170.75 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 35.4 p -119.79 36.57 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.462 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 172.82 150.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.9 t -75.96 120.54 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 15.7 mt -73.53 160.53 31.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -137.11 150.32 68.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.445 1.76 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 11' ' ' VAL . 18.0 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -37.64 -56.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.439 ' CG ' HD13 ' A' ' 37' ' ' LEU . 10.5 mmm -49.22 -51.99 29.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -55.48 -50.7 69.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -45.25 -26.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -84.81 -41.52 16.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HG2' ' CG1' ' A' ' 25' ' ' VAL . 14.9 mttt -58.79 -50.03 75.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.33 -45.31 65.42 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.12 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.65 128.21 34.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -74.39 -45.93 43.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -39.76 -40.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.526 ' CZ ' HG23 ' A' ' 133' ' ' VAL . 1.7 m-85 -108.42 54.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.79 -61.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -22.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 10.6 tp -70.4 -58.14 4.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 16' ' ' LYS . 86.8 t -43.18 -51.23 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.1 -42.86 9.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -59.92 -54.8 41.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 3.9 mt -53.47 -54.65 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -56.47 9.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -44.42 95.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.08 71.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.73 38.31 8.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.47 -26.96 12.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 38' ' ' ASN . 16.5 m -40.56 -50.97 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.7 mm-40 -49.25 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -47.41 -53.94 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' A' ' 12' ' ' MET . 23.6 mt -65.54 -15.83 63.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.9 m-20 -90.57 18.12 6.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -122.33 140.95 52.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.39 140.4 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.56 -134.68 4.48 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG1' HG12 ' A' ' 83' ' ' ILE . 7.3 m -151.5 130.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -156.02 116.86 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 80' ' ' GLY . 17.8 m -92.04 109.81 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.6 t -112.24 157.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 92.1 m-85 -127.86 113.79 16.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.485 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.64 116.88 59.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.465 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -75.05 177.47 8.56 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.0 p -81.2 -176.45 5.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -73.65 -49.24 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -14.79 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.42 -54.75 17.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 67.0 m-85 -64.57 -46.15 84.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -51.69 -25.09 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.82 -45.99 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 13.8 mt -44.12 138.22 3.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -75.01 174.75 12.26 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -13.17 21.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.94 -39.89 15.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.3 -16.94 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG2' ' CD1' ' A' ' 65' ' ' LEU . 3.8 mtp180 -67.6 -77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.1 t -54.09 -21.92 9.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -46.41 85.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.3 mt -97.26 -46.74 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.413 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 25.7 mt -60.16 -28.7 68.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -87.59 -81.71 1.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.69 126.69 28.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.71 -47.56 30.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -40.77 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.21 -33.41 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -70.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.59 -37.09 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -52.24 -48.06 65.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.462 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 25.8 mm -67.79 -51.25 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 8.9 mt -52.07 -45.05 64.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -53.28 -53.94 43.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -66.7 -8.41 27.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.9 m80 -96.8 -20.34 18.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.609 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.416 ' CD1' ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.43 145.69 11.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -113.14 162.06 12.48 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -104.44 44.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 171.5 159.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.471 HG12 ' CG1' ' A' ' 42' ' ' VAL . 3.3 mm -89.74 131.98 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 tt -134.31 119.64 18.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -127.38 153.83 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.1 mtm-85 -114.89 107.36 15.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.4 HD21 ' N ' ' A' ' 96' ' ' LYS . 2.0 tt -88.49 120.6 30.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HG3' ' CG ' ' A' ' 102' ' ' LYS . 1.0 OUTLIER -78.76 109.65 13.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 t -84.59 155.71 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 98' ' ' LEU . 5.1 mp -62.44 -39.42 93.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -35.91 26.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.84 -46.61 1.07 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.03 130.0 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.412 ' CG ' ' HG3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -75.3 133.75 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.34 134.61 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.74 130.1 36.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -142.96 125.02 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 p -140.7 167.94 20.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.1 tp -121.41 112.88 19.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -136.61 136.67 39.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.0 m120 59.39 19.22 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 3.3 t30 75.01 17.3 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.21 139.53 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 71.4 t -100.01 146.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.82 154.95 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 117' ' ' GLU . 4.4 p -136.59 130.72 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 52.8 24.48 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.48 41.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 114' ' ' VAL . 2.5 mt-10 -133.52 146.81 62.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.09 19.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 120' ' ' ALA . 73.1 t -94.54 151.13 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -82.6 -68.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -144.58 87.67 7.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.429 ' CG ' HG11 ' A' ' 119' ' ' VAL . 18.5 Cg_endo -74.97 179.5 6.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.6 t0 74.11 58.94 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.348 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.1 mt -116.36 93.05 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.93 130.46 39.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.414 ' HB3' ' N ' ' A' ' 11' ' ' VAL . . . -104.18 -166.57 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.437 HG21 ' CG2' ' A' ' 10' ' ' THR . 0.4 OUTLIER -87.11 -1.99 58.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -174.62 45.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 161.22 -163.62 34.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.18 170.26 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 19.6 t -148.35 153.46 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 81.6 m-70 -141.16 101.82 4.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.526 HG23 ' CZ ' ' A' ' 21' ' ' PHE . 93.9 t -59.99 127.51 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.458 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.2 pt -106.08 170.89 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.9 p -118.16 36.03 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.44 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 174.67 154.17 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 88.5 t -82.02 109.58 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 19.2 mt -60.3 161.58 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -140.07 155.75 70.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.462 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.514 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 26.1 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.451 ' CG2' ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -36.96 -55.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.5 mmm -54.93 -62.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 16' ' ' LYS . 33.4 t0 -47.27 -50.1 22.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.86 -30.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.66 -42.67 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HG2' ' CG1' ' A' ' 25' ' ' VAL . 14.4 mttt -58.13 -48.27 80.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.55 -52.09 47.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.16 125.52 28.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.95 -43.02 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.71 -37.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.404 ' CZ ' HG13 ' A' ' 133' ' ' VAL . 2.0 m-85 -113.98 55.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 23' ' ' MET . 4.6 p -89.0 -62.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.45 ' N ' ' OG ' ' A' ' 22' ' ' SER . 78.8 mtp -47.55 -25.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 7.9 tp -68.44 -54.24 18.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG1' ' HG2' ' A' ' 16' ' ' LYS . 70.7 t -44.69 -58.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.72 -44.13 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.23 -48.7 78.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.47 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 4.8 mt -61.83 -64.86 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.08 -52.33 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -46.99 87.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.54 -33.16 72.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.74 41.31 7.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.96 -21.63 13.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' ASN . 5.0 m -40.48 -65.39 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.47 -59.65 0.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -45.94 -60.9 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.51 -11.96 39.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.2 OUTLIER -91.28 21.21 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -129.41 139.09 51.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.3 148.08 12.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.61 -130.53 3.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 83' ' ' ILE . 5.5 m -148.19 130.22 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -156.46 115.65 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 m -93.71 102.73 14.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 t -107.81 151.63 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 89.6 m-85 -124.42 114.01 18.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.465 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.35 117.1 58.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.488 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.09 -175.52 2.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.0 p -76.85 -169.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.342 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -82.97 -47.37 11.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.19 -15.41 62.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -57.28 -33.0 67.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -81.03 -44.27 18.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -53.93 -24.61 16.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.44 -38.5 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.9 mt -51.65 140.45 27.53 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.4 31.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.45 8.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.802 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.52 -40.95 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.61 -46.94 6.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -60.21 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.3 t -51.18 -63.75 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -37.38 -59.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.247 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mt -44.46 -59.63 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.31 -25.74 67.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -78.35 -92.54 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.79 136.5 58.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.64 -46.28 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -59.21 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.48 -36.63 74.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.0 -70.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.19 -34.15 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -54.44 -48.98 71.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.1 mm -66.58 -49.26 76.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 12.9 mt -54.24 -50.9 66.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -45.7 -51.22 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.606 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 88.3 t80 -64.34 -24.06 67.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 11.1 m80 -81.8 -21.69 37.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.2 mt -101.3 142.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.59 170.05 13.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -106.35 41.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 173.04 158.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 42' ' ' VAL . 16.6 mm -93.54 123.14 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.0 tt -130.14 119.69 23.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.6 m -131.15 165.86 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -108.92 106.75 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.479 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -94.9 115.29 27.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.406 ' N ' HD21 ' A' ' 95' ' ' LEU . 33.5 tttt -71.79 126.01 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 p -91.81 146.59 23.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.1 -31.25 63.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -62.93 -27.3 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.71 -47.15 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.34 141.01 57.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 126.17 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.606 ' CD2' ' CZ ' ' A' ' 77' ' ' TYR . 16.8 mt -81.81 152.77 26.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -106.16 130.15 54.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -141.54 128.17 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 p -140.75 171.99 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.1 tp -128.51 106.08 8.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.25 141.84 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 33.0 t30 56.07 19.07 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 12.3 t30 75.72 14.31 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.3 t -107.13 150.15 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.9 t -111.83 135.88 49.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.24 148.23 52.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.88 105.91 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.4 ' ND2' HD11 ' A' ' 138' ' ' LEU . 9.3 m-20 73.88 29.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.83 27.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -120.06 143.85 36.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 133.08 16.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.462 HG11 ' CG ' ' A' ' 122' ' ' PRO . 79.2 t -89.51 151.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -79.42 -67.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -148.46 86.71 5.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.462 ' CG ' HG11 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.95 175.64 10.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 3.3 t70 77.69 59.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.454 ' CD1' HG11 ' A' ' 131' ' ' VAL . 12.3 mt -115.53 92.22 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.6 mmm -65.43 141.6 58.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 129' ' ' GLY . . . -122.84 175.01 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.514 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 34.1 p -59.59 -29.75 68.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.65 43.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 126' ' ' ALA . . . 176.96 -172.57 45.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.13 169.75 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 124' ' ' ILE . 20.2 t -149.09 147.86 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 75.5 m-70 -135.66 97.98 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.554 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 120' ' ' ALA . 61.4 t -57.18 126.04 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.454 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.7 pt -101.74 166.95 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.8 p -83.76 -29.11 27.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -149.75 170.61 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.2 t -73.05 130.9 35.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 23.2 mt -74.41 172.16 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -144.84 147.81 36.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.457 ' CG2' HG22 ' A' ' 127' ' ' THR . 5.8 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -38.8 -56.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.409 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 19.2 mmm -52.89 -47.07 68.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.92 -45.66 89.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.96 -27.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -84.11 -43.47 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -61.33 -42.21 98.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.62 -47.96 88.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -75.03 128.33 35.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -76.32 -36.29 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.8 -33.31 7.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.542 ' CZ ' HG21 ' A' ' 133' ' ' VAL . 5.3 m-85 -115.24 56.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 p -88.76 -66.39 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -33.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.4 tp -60.54 -60.42 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.9 t -41.0 -53.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.74 -51.74 5.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB1' ' CD2' ' A' ' 71' ' ' LEU . . . -52.58 -44.8 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.464 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 26.0 mt -68.38 -50.91 52.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -40.66 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -43.08 27.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.86 72.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.69 44.37 7.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mt -108.45 -19.83 13.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' ASN . 18.4 m -47.75 -54.72 11.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -57.71 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -49.41 -53.8 20.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 13.2 mt -68.51 -12.24 60.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -93.91 24.83 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -124.41 140.75 52.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -55.67 114.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.93 -138.68 4.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.7 m -148.76 131.8 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -155.97 117.53 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 80' ' ' GLY . 7.5 m -89.61 110.83 21.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -113.39 157.83 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.356 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 87.9 m-85 -127.35 115.28 18.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.469 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.36 116.75 57.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.522 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.03 -174.9 2.11 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -95.08 -176.48 3.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.95 -42.17 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.63 -13.88 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -74.44 -62.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.522 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 57.7 m-85 -57.93 -39.78 78.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -25.8 64.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -42.19 72.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 17.0 mt -48.0 140.23 9.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -75.03 173.92 13.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -6.54 18.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.7 -49.63 5.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -18.41 62.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HG2' ' CD1' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -67.25 -73.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.3 t -55.34 -27.52 47.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -50.75 66.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.7 mt -90.2 -47.34 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.451 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 34.0 mt -60.18 -15.48 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -91.65 -93.32 1.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.19 132.14 52.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.92 -39.6 55.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -45.25 -56.91 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -40.39 95.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -52.96 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.1 -41.82 27.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -48.57 -50.41 32.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.443 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.7 mm -63.43 -49.25 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 12.3 mt -53.77 -45.63 70.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -51.57 -54.35 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -64.57 -13.08 51.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -92.84 -21.4 19.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 80' ' ' GLY . 3.7 mt -101.92 145.9 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -112.82 178.64 18.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -118.79 43.6 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 0.728 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 174.22 159.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 42' ' ' VAL . 5.5 mm -93.03 114.46 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 tt -119.66 120.18 35.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.4 m -128.54 154.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.5 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -109.21 105.78 15.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.461 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -89.2 115.33 26.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.411 ' N ' HD21 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -69.94 124.13 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.6 t -97.56 178.65 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.975 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.05 -48.52 9.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -44.75 -32.22 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.92 -46.67 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.91 137.22 57.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.37 134.35 36.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.9 mt -88.45 139.52 30.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -99.36 130.73 45.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 t -141.12 125.56 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 p -133.12 177.58 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.955 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.3 tp -145.19 107.96 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -134.44 144.97 48.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.423 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 92.4 m-20 56.64 19.32 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 0.7 OUTLIER 77.16 13.26 2.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 t -107.53 138.15 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.9 t -100.82 143.29 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.85 151.51 50.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 7.0 p -138.45 105.61 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 4.0 m-20 74.61 28.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 74.8 27.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.68 144.15 38.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.33 17.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.458 HG11 ' CG ' ' A' ' 122' ' ' PRO . 68.4 t -90.88 149.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.439 ' N ' HG12 ' A' ' 119' ' ' VAL . . . -81.33 -66.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -146.66 88.09 6.17 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.458 ' CG ' HG11 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -74.99 179.79 5.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.4 t0 71.69 48.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.424 HD11 ' CG2' ' A' ' 133' ' ' VAL . 20.7 mt -101.25 93.07 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.32 127.12 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.08 -170.33 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.457 HG22 ' CG2' ' A' ' 10' ' ' THR . 0.4 OUTLIER -93.72 3.82 54.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 9.8 p-10 -173.57 51.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.96 -161.29 27.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 6.4 p -137.8 169.84 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 132' ' ' HIS . 40.6 t -146.82 157.78 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.581 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 70.5 m-70 -145.05 99.85 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.542 HG21 ' CZ ' ' A' ' 21' ' ' PHE . 94.3 t -58.31 131.78 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.475 HG13 ' CA ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -109.58 170.99 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 45.0 p -118.66 30.38 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 179.73 153.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 90.7 t -79.44 110.41 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 12.3 mt -62.87 163.85 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -142.46 154.38 63.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.443 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.416 ' N ' ' HB2' ' A' ' 13' ' ' ASP . 18.9 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.448 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.4 OUTLIER -41.88 -52.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.412 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 7.7 mmm -63.86 -57.35 10.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' LYS . 45.6 m-20 -47.6 -47.17 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -43.54 -36.67 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -74.41 -41.75 60.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' ASP . 15.6 mttt -61.45 -44.15 97.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.22 -60.43 7.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -69.32 128.32 36.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.243 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' ARG . 5.5 m120 -72.82 -38.69 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' ASN . 5.8 mtp180 -38.09 -41.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CZ ' HG12 ' A' ' 133' ' ' VAL . 3.7 m-85 -111.42 48.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 p -85.12 -31.13 23.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -36.89 63.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.45 -51.87 68.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' ILE . 79.5 t -45.35 -52.5 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.67 -44.42 6.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.68 95.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 48.4 mt -65.1 -47.8 86.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.18 -47.33 81.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -43.93 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.81 -29.57 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.03 37.82 17.51 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mt -100.9 -25.86 13.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.805 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.5 m -46.92 -41.13 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.12 -53.93 52.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -53.28 -44.68 68.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.443 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 8.6 mt -77.73 -6.04 52.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -81.6 -33.78 31.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -80.85 138.8 36.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -47.13 162.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.54 -134.97 6.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -155.01 130.67 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 0.725 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -156.7 116.14 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 m -87.44 113.72 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.453 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -116.9 156.52 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 97.6 m-85 -129.29 115.11 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.48 116.92 58.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.519 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -74.95 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -81.29 176.7 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.77 -41.8 74.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.56 -13.35 60.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -70.31 -57.18 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 63.8 m-85 -63.1 -32.63 74.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -64.45 -27.87 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.09 -39.66 75.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 12.3 mt -48.49 139.72 10.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.97 167.53 26.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -1.84 11.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.31 -39.51 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 6.4 tt0 -93.1 -12.01 31.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -75.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 2.0 t -54.34 -20.01 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.061 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -55.35 35.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.2 mt -84.01 -45.63 12.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.47 -17.28 53.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -99.32 -81.14 1.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.73 136.79 58.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.3 -48.34 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -69.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -50.28 -33.37 19.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -70.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.2 -37.46 54.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' OD1' ' NE2' ' A' ' 99' ' ' GLN . 4.8 t-20 -50.56 -46.76 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.93 -53.82 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 6.6 mt -49.05 -48.72 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -51.35 -45.45 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -69.81 -18.91 63.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 14.1 m80 -89.18 -20.13 24.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.5 mt -101.77 144.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.93 174.53 15.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -110.41 39.1 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 172.42 164.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 83' ' ' ILE . 3.7 mm -89.69 138.49 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.434 HD11 ' CG1' ' A' ' 93' ' ' VAL . 4.0 tt -145.19 119.87 9.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.0 m -137.88 -179.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.463 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 78.5 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.434 ' CG1' HD11 ' A' ' 84' ' ' LEU . 21.0 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -114.53 111.27 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.414 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -97.3 123.0 40.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.411 ' N ' HD21 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -72.8 132.86 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.8 t -103.69 149.46 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.02 -31.31 69.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.448 ' NE2' ' OD1' ' A' ' 73' ' ' ASN . 1.5 tt0 -65.1 -28.25 69.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 124.82 -45.86 1.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 97' ' ' SER . 2.4 m-20 -66.65 136.89 56.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 132.84 34.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.04 142.77 27.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -97.18 130.18 44.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.44 124.81 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 p -136.01 170.84 15.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 86' ' ' SER . 46.0 tp -129.31 110.59 12.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -137.3 139.42 40.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 57.2 19.13 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 74.91 20.44 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 t -112.09 141.5 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.25 136.93 35.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.61 148.08 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.14 106.31 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 73.71 31.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.77 28.91 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -121.61 143.4 37.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.66 18.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.76 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 120' ' ' ALA . 71.5 t -90.09 153.26 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -80.41 -71.63 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -142.95 86.58 9.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.423 ' O ' ' CB ' ' A' ' 123' ' ' ASP . 18.2 Cg_endo -74.99 177.82 8.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.771 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.437 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 4.8 t70 77.02 57.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.468 HD13 ' CG2' ' A' ' 133' ' ' VAL . 12.8 mt -112.68 92.14 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.09 133.52 49.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -115.94 -170.35 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.413 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 71.4 p -79.88 -28.03 39.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.07 54.08 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.35 -163.97 32.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.0 p -142.87 169.86 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 124' ' ' ILE . 26.2 t -144.83 152.58 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.586 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 90.8 m-70 -139.44 98.26 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.584 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 120' ' ' ALA . 58.4 t -57.32 129.52 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.487 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -106.1 171.32 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.0 p -113.25 5.0 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.71 164.45 36.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 77.4 t -92.21 100.53 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.573 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 31.6 mt -48.66 160.49 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -141.07 152.82 66.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.5 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 4.9 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -38.1 -56.15 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.472 ' CG ' HD12 ' A' ' 37' ' ' LEU . 19.5 mmm -61.79 -53.55 54.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.415 ' HB2' ' N ' ' A' ' 10' ' ' THR . 17.1 m-20 -49.31 -44.43 44.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.405 1.066 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -51.22 -36.98 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -74.23 -38.63 63.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.461 ' CG ' HG12 ' A' ' 25' ' ' VAL . 16.3 mttt -63.68 -40.72 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.56 -52.69 51.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.23 132.15 45.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -79.81 -34.23 39.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.96 -38.52 51.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.424 ' CZ ' HG12 ' A' ' 133' ' ' VAL . 2.6 m-85 -107.5 43.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.4 p -77.79 -60.29 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -39.08 11.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.478 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 8.8 tp -57.69 -54.76 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.461 HG12 ' CG ' ' A' ' 16' ' ' LYS . 71.3 t -44.81 -58.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.17 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 24' ' ' LEU . . . -64.44 -51.01 65.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 4.0 mt -58.63 -49.97 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -47.85 72.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -47.59 79.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.14 73.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.34 35.62 8.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.3 -19.77 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 m -51.94 -26.25 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.86 -53.99 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -55.09 -31.56 61.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 ' CG ' ' A' ' 12' ' ' MET . 15.4 mt -88.48 -0.3 57.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -91.04 -26.0 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -86.48 142.76 28.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -56.22 159.81 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.74 -131.58 4.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.485 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.9 m -150.76 130.1 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -156.86 116.39 3.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -93.54 102.26 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.55 156.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 84.8 m-85 -130.32 113.45 14.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.478 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.0 116.8 60.1 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.01 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -97.52 176.57 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.58 -44.1 83.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -17.98 63.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.24 -61.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.562 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 66.3 m-85 -59.33 -33.53 71.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -63.41 -26.72 68.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.38 -43.93 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt -43.84 143.5 1.69 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.2 35.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 0.32 9.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.02 -33.2 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -95.83 -16.7 21.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -74.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' GLY . 5.2 t -52.03 -21.57 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -63.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.7 mt -71.19 -47.9 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.08 -16.54 45.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -98.62 -84.61 1.79 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.16 129.35 39.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.87 -47.25 26.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -55.48 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.01 -46.0 91.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.356 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.62 -65.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -50.97 -49.42 60.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' ALA . 1.5 t-20 -40.09 -46.37 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.431 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 25.5 mm -69.76 -58.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 9.6 mt -44.46 -48.05 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -52.17 -53.09 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -64.38 -11.43 32.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 7.0 m80 -93.75 -23.01 18.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 80' ' ' GLY . 2.6 mt -101.6 144.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -113.39 165.98 12.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -100.24 36.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 177.13 158.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.485 HG12 ' CG1' ' A' ' 42' ' ' VAL . 13.1 mm -90.34 132.42 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.475 HD13 ' CG1' ' A' ' 93' ' ' VAL . 5.1 tt -132.9 119.37 20.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 m -127.87 145.18 35.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.475 ' CG1' HD13 ' A' ' 84' ' ' LEU . 18.1 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -120.18 110.11 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -92.94 117.53 30.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -73.05 123.1 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -94.05 177.65 5.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.47 -44.96 13.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -51.08 -29.89 14.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.43 -45.93 1.12 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.5 133.39 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 135.36 33.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.16 146.75 24.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -103.18 130.01 50.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.8 123.65 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.14 176.77 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.024 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.5 tp -131.44 107.77 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -136.79 144.37 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.4 t30 55.71 19.22 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.2 16.28 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 112' ' ' VAL . 8.8 t -108.53 158.83 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.404 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 59.8 t -120.22 144.3 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.4 151.17 43.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 7.2 p -138.83 103.52 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 2.8 m-20 76.37 33.26 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 2.0 mtmt 69.06 29.88 4.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.76 142.27 37.34 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.239 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.61 19.33 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 111.033 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.489 HG11 ' CG ' ' A' ' 122' ' ' PRO . 73.0 t -90.53 146.83 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.437 ' N ' HG12 ' A' ' 119' ' ' VAL . . . -76.27 -64.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.34 88.37 4.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.489 ' CG ' HG11 ' A' ' 119' ' ' VAL . 18.2 Cg_endo -75.02 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 3.2 t0 76.64 60.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.417 ' CD1' HG13 ' A' ' 131' ' ' VAL . 10.8 mt -116.22 92.74 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.28 137.63 54.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.83 -166.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.5 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 74.6 p -81.32 -23.39 37.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.61 43.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.17 -168.36 41.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.37 170.52 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' A' ' 124' ' ' ILE . 23.7 t -147.22 150.17 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.591 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 83.9 m-70 -138.71 97.13 3.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 120' ' ' ALA . 76.4 t -55.45 134.44 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.477 HG13 ' CA ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -111.3 171.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 73.3 p -120.11 32.54 5.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 176.36 144.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 82.4 t -71.47 116.82 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 26.7 mt -68.51 155.17 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -135.95 151.53 74.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.431 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.516 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 5.2 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.37 -60.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.412 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 11.9 mmm -53.39 -43.53 67.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -62.27 -48.43 79.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.8 t -45.94 -27.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mt -86.17 -41.94 14.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' HG13 ' A' ' 25' ' ' VAL . 13.3 mttt -63.56 -49.43 73.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.0 -56.24 12.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -71.79 131.75 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -75.06 -37.38 61.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -42.02 -40.42 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -109.71 50.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 p -80.94 -56.13 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.68 -47.47 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.576 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.4 tp -47.98 -53.38 16.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG13 ' CG ' ' A' ' 16' ' ' LYS . 76.1 t -46.59 -55.78 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.19 -41.29 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -49.41 76.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 7.1 mt -64.86 -42.72 95.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -43.56 94.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -45.08 64.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.0 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.12 39.45 9.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mt -101.47 -21.31 14.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' ASN . 8.6 m -44.44 -57.54 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -41.84 -61.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -46.69 -58.46 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 21.3 mt -63.97 -12.52 38.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.4 m-20 -91.36 17.78 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -127.64 141.69 51.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.65 152.87 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.78 -127.58 3.07 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.477 ' CG1' HG12 ' A' ' 83' ' ' ILE . 1.3 m -160.71 130.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -156.49 116.92 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 m -91.02 106.13 18.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -109.14 157.7 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 96.6 m-85 -130.16 113.04 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.576 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -104.98 117.2 59.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.54 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -75.0 -171.33 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.4 p -91.83 -173.14 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -76.71 -44.34 33.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -20.26 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.247 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -60.79 -52.8 63.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.54 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 55.9 m-85 -67.28 -29.19 68.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -65.48 -27.7 68.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.98 75.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 mt -47.72 140.1 8.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.5 Cg_endo -74.96 166.76 28.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.07 9.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.77 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -93.93 -42.63 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.66 -15.91 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -64.19 -76.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' GLY . 8.5 t -49.28 -23.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.51 -65.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.5 mt -71.09 -46.99 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.35 -15.21 33.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -100.48 -91.15 2.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.3 133.61 56.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.238 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.48 -44.86 27.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -41.44 -68.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.95 -29.44 42.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.83 -70.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.55 -39.11 22.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -47.46 -54.86 10.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.4 mm -61.01 -53.69 45.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 7.8 mt -48.7 -45.44 39.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -52.56 -54.53 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -64.86 -11.97 43.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -92.35 -22.02 19.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mt -101.37 149.96 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.43 -175.19 19.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -117.41 9.64 13.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 0.727 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -158.46 161.09 37.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.477 HG12 ' CG1' ' A' ' 42' ' ' VAL . 15.3 mm -91.9 119.62 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.506 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 2.7 tt -122.18 120.14 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.0 m -134.37 152.78 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.417 ' CG1' HD12 ' A' ' 84' ' ' LEU . 96.7 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -97.73 111.27 23.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.39 116.71 30.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 115.51 9.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 98' ' ' LEU . 4.8 t -90.38 176.77 6.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.438 ' N ' ' OG ' ' A' ' 97' ' ' SER . 5.2 mt -86.53 -47.7 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -38.8 -32.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.1 -43.87 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.62 130.68 41.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.41 128.08 35.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 mt -77.25 160.73 28.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.83 130.31 53.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -144.82 125.05 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.87 165.45 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.402 ' CD1' ' O ' ' A' ' 111' ' ' VAL . 35.1 tp -123.48 114.07 19.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -136.32 148.39 47.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.6 m-20 56.59 18.84 3.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.358 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 45.2 t30 76.19 7.61 3.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.402 ' O ' ' CD1' ' A' ' 107' ' ' LEU . 6.6 t -106.26 150.78 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.0 t -95.04 135.07 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.37 149.99 51.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' A' ' 117' ' ' GLU . 6.6 p -135.1 128.05 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.417 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 6.3 m-20 49.25 22.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 115' ' ' ASN . 1.6 mtmt 81.94 46.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.506 ' HB3' ' O ' ' A' ' 114' ' ' VAL . 1.5 tt0 -137.81 137.98 22.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.448 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 18.1 Cg_endo -75.08 131.21 13.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 133' ' ' VAL . 99.3 t -87.23 149.12 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.468 ' N ' HG12 ' A' ' 119' ' ' VAL . . . -81.13 -61.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -147.61 88.33 5.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.0 3.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 62.11 64.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.452 ' CD1' HG12 ' A' ' 131' ' ' VAL . 18.1 mt -112.48 92.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.47 132.44 53.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.98 -166.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.516 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 60.2 p -83.44 -32.17 26.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.48 45.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.08 -168.76 41.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.42 1.075 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.79 170.12 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 11' ' ' VAL . 24.4 t -147.62 147.28 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 75.8 m-70 -136.93 96.7 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.475 ' O ' ' CG1' ' A' ' 119' ' ' VAL . 95.9 t -56.88 127.81 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.482 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.1 pt -105.07 170.91 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.1 p -119.76 32.35 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.421 ' N ' ' OE2' ' A' ' 117' ' ' GLU . 0.7 OUTLIER 175.9 148.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 79.3 t -73.13 118.61 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 12.0 mt -70.71 158.15 36.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -139.43 152.1 68.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' VAL . 10.6 p . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.466 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.92 -55.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.432 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 20.8 mmm -61.96 -44.8 95.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 10' ' ' THR . 4.5 m-20 -58.48 -39.44 79.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -56.13 -28.85 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 mt -85.35 -40.23 16.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HG2' ' CG1' ' A' ' 25' ' ' VAL . 14.8 mttt -61.15 -44.92 96.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.04 -52.62 52.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.33 123.53 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -68.63 -44.34 74.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.74 -42.27 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -105.37 51.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.6 p -87.54 -66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -27.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.412 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.0 tp -68.35 -57.09 6.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.404 ' CG1' ' HG2' ' A' ' 16' ' ' LYS . 98.2 t -40.09 -55.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.34 -56.1 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.438 ' HB1' ' CD2' ' A' ' 71' ' ' LEU . . . -47.0 -47.17 22.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.469 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 45.0 mt -66.06 -59.27 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -45.02 -39.0 5.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -44.72 21.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 72' ' ' ALA . . . -59.8 -29.9 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.0 43.37 9.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -107.06 -21.61 12.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' ASN . 6.3 m -45.77 -55.98 5.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -43.29 -60.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -47.64 -55.86 8.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.67 -12.82 56.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -93.2 21.03 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -119.44 142.59 48.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.88 116.74 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.351 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.79 -135.24 3.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.15 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.482 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.8 m -147.63 131.71 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -156.01 116.98 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.9 m -91.42 105.7 17.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 t -108.69 157.52 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 87.0 m-85 -127.04 114.04 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.412 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.58 116.92 56.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.467 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.99 -178.58 4.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 p -78.03 -171.82 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -77.43 -56.21 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.95 -20.85 59.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -52.51 -38.94 60.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -78.81 -47.26 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -49.14 -26.79 3.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.16 -46.01 65.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -45.71 141.3 4.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.2 31.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.56 8.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -94.76 -40.09 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.481 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.5 tp10 -95.51 -46.01 6.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -59.41 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -53.16 -53.93 43.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -43.38 -52.78 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.0 -60.68 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.71 -17.23 54.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -82.22 -94.48 0.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -60.73 130.1 44.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.91 -42.88 23.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -52.7 41.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.01 -37.75 88.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CD2' ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -56.11 -68.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.461 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -47.28 -37.24 10.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.69 -50.2 60.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.434 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 21.9 mm -64.67 -50.92 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 20.3 mt -52.46 -42.91 64.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -52.26 -54.63 28.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.437 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 63.5 t80 -64.9 -9.42 20.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 7.0 m80 -96.24 -18.58 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 80' ' ' GLY . 3.4 mt -101.82 145.72 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -113.02 166.81 12.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.483 ' CG ' ' CD1' ' A' ' 98' ' ' LEU . 7.3 m-20 -108.13 37.31 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 177.64 161.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.482 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.0 mm -90.53 130.15 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 6.6 tt -134.13 119.82 19.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.0 m -128.43 156.7 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 50.8 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -90.42 112.08 23.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.437 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -95.1 117.46 30.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.76 126.24 29.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 p -93.78 139.85 30.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.483 ' CD1' ' CG ' ' A' ' 81' ' ' ASP . 7.1 mp -52.39 -25.2 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -67.84 -18.82 64.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.81 -44.3 1.46 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -69.08 149.24 48.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.13 115.61 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.437 HD23 ' CZ ' ' A' ' 77' ' ' TYR . 3.5 mt -75.83 143.16 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.94 130.73 42.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.0 t -141.71 129.03 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.38 178.55 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 25.6 tp -129.21 110.25 11.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -137.39 140.28 41.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 m120 56.05 19.34 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 72.19 20.95 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.0 t -117.36 139.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.5 t -99.5 148.02 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.15 150.29 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 7.3 p -136.12 104.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 3.4 m-20 76.65 31.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.06 25.35 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -117.31 142.52 30.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.14 16.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 120' ' ' ALA . 66.9 t -91.04 158.95 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.41 ' N ' HG12 ' A' ' 119' ' ' VAL . . . -89.92 -77.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -130.7 87.21 50.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.13 7.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 69.18 59.07 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.435 ' CD1' HG11 ' A' ' 131' ' ' VAL . 12.8 mt -110.93 92.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.91 120.76 15.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.29 -167.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.17 -0.76 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 128' ' ' ASN . 22.6 p30 -170.92 37.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 162.77 -158.5 30.74 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.64 170.46 18.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.3 t -147.13 151.92 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' HIS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 77.7 m-70 -138.81 98.28 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.73 120.68 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.441 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.3 pt -99.0 170.55 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 38.0 p -117.12 28.18 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -179.78 144.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 75.8 t -72.44 115.74 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 17.1 mt -65.66 164.59 14.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -138.39 153.54 72.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.57 -61.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.994 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -134.85 94.04 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.54 -156.24 7.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.0 -60.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.974 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.06 -61.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.45 178.3 16.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.32 -160.38 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.48 116.35 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.509 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 5.8 p -63.38 157.15 23.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.06 -57.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.405 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 25.9 mmm -59.94 -55.55 32.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.32 -46.79 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 t -48.44 -33.36 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 HD23 ' CB ' ' A' ' 47' ' ' ALA . 11.3 mt -81.08 -42.28 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HG2' ' CG1' ' A' ' 25' ' ' VAL . 11.5 mtpt -59.67 -41.27 90.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.56 -50.65 62.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.487 ' HB3' ' CD2' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -70.55 124.79 25.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 0.787 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -39.85 77.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -34.6 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.487 ' CD2' ' HB3' ' A' ' 18' ' ' ASP . 1.1 m-85 -110.76 48.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.8 p -86.95 -63.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -24.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.6 tp -69.93 -53.37 18.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 16' ' ' LYS . 86.7 t -45.58 -55.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.57 -41.33 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.32 99.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 11.1 mt -64.95 -55.62 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -48.16 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -46.32 89.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.98 73.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.45 44.24 5.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mt -109.72 -22.01 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' ASN . 4.4 m -44.42 -54.33 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -53.04 -55.37 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -48.36 -49.1 35.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 10.2 mt -75.16 -16.64 60.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' THR . 6.9 t-20 -72.93 -37.98 66.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -75.93 138.91 41.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -45.78 168.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 133.39 -137.22 9.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -155.09 130.88 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -156.03 116.42 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 m -86.72 109.47 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.359 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.8 t -114.76 154.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 94.2 m-85 -125.07 115.21 20.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.467 ' CB ' HD23 ' A' ' 15' ' ' LEU . . . -107.26 117.11 56.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.474 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.1 Cg_endo -75.0 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.4 p -73.93 -166.48 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -86.1 -46.18 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -14.74 61.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -57.26 -32.94 67.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -80.35 -49.42 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -49.81 -22.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.9 -39.11 61.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.1 mt -52.05 139.51 33.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 18.4 Cg_endo -75.05 166.01 30.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.06 9.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.452 1.764 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -91.77 -41.06 10.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.5 tp10 -95.62 -47.01 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 57' ' ' PRO . 28.3 ttp85 -51.37 -64.81 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.8 t -45.31 -62.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' SER . 0.7 OUTLIER -37.79 -54.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mt -50.73 -60.09 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.91 -18.33 55.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.79 -94.53 1.05 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.79 129.32 40.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.92 -44.67 19.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -56.15 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.44 -31.86 73.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -70.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.69 -35.57 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -52.16 -53.84 38.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.42 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 23.9 mm -60.7 -48.36 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 10.3 mt -55.36 -45.96 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -52.93 -46.72 68.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.444 ' O ' ' CD2' ' A' ' 103' ' ' LEU . 91.8 t80 -71.32 -15.89 62.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.8 m80 -89.89 -20.95 22.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.571 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 80' ' ' GLY . 4.0 mt -101.25 147.97 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 79' ' ' ILE . . . -112.69 179.37 19.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -115.69 20.79 14.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' HG2' ' CD2' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -167.81 161.66 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.462 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.7 mm -92.27 110.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.477 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 1.6 tt -116.6 119.81 36.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.417 ' N ' HD21 ' A' ' 84' ' ' LEU . 31.5 m -137.34 158.61 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.442 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 87.2 p -71.14 67.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.35 -66.34 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.46 63.81 0.61 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.8 mm -79.74 -122.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 161.04 -62.84 0.28 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.69 -55.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 93' ' ' VAL . 1.4 tm? -148.23 147.74 29.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 84' ' ' LEU . 72.9 t -135.2 138.32 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -109.59 111.15 22.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.429 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 3.5 tt -93.49 118.97 32.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.407 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -71.3 111.22 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -179.23 7.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 mt -93.59 -46.32 7.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -30.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.04 -39.86 1.83 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.37 129.13 34.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 135.9 44.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 77' ' ' TYR . 30.0 mt -86.03 129.75 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.592 1.182 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -91.46 130.17 37.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 t -142.54 130.58 20.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 p -139.22 169.41 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 86' ' ' SER . 21.3 tp -128.43 112.49 14.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -137.31 140.22 41.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 5.1 m-20 57.63 18.14 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 25.4 t-20 76.75 13.61 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.1 t -107.68 139.53 29.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.415 HG21 ' CD1' ' A' ' 107' ' ' LEU . 66.2 t -98.28 141.14 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.41 148.05 45.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 2.7 p -132.75 103.97 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 3.7 m-20 75.2 27.99 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 76.72 26.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.46 142.43 30.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.18 17.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.45 HG11 ' CG ' ' A' ' 122' ' ' PRO . 52.9 t -90.69 150.34 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -80.12 -68.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -145.46 87.86 6.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.45 ' CG ' HG11 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -75.0 177.56 8.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.807 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t70 72.9 62.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.45 ' CD1' HG12 ' A' ' 131' ' ' VAL . 15.5 mt -113.47 93.11 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.6 mmt -64.96 130.01 41.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -113.36 -166.7 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.509 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 45.2 p -82.1 -33.84 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.99 46.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 168.08 -169.87 41.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.44 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 0.7 OUTLIER -134.14 170.03 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.466 ' CG2' HG21 ' A' ' 11' ' ' VAL . 25.5 t -147.88 149.3 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.579 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 65.3 m-70 -137.86 101.84 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 120' ' ' ALA . 64.3 t -60.96 130.34 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.45 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -106.87 165.95 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 20.0 p -96.51 -5.72 38.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -162.47 152.14 15.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.06 128.81 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 21.8 mt -69.15 167.65 15.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -144.55 138.01 14.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.42 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 157.38 42.7 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.565 1.824 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 68.8 p -55.38 142.31 32.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 175.59 158.6 19.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 101.07 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.811 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.21 82.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.2 m -145.37 -58.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.483 1.114 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.06 166.55 7.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.17 154.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.955 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.38 176.06 19.32 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -115.44 -57.05 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -100.76 135.35 42.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.35 -165.95 31.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 mtt -155.52 118.49 4.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 0.759 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.69 100.27 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.507 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 3.0 p -57.46 156.53 7.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.457 HG22 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -36.93 -59.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 13.2 mmm -57.23 -46.52 82.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.416 ' HB2' ' N ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.09 -49.26 74.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.44 -32.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.2 mt -78.75 -42.26 28.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 13' ' ' ASP . 14.9 mttt -62.6 -47.25 84.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.22 -37.54 87.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.75 129.49 34.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -75.92 -43.91 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.89 -38.36 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CZ ' HG11 ' A' ' 133' ' ' VAL . 2.2 m-85 -108.28 54.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -89.47 -67.28 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.47 -30.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 tp -64.5 -54.59 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 28' ' ' ILE . 70.2 t -45.91 -54.26 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.8 -44.07 6.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.63 -44.6 93.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 63.0 mt -63.06 -58.66 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.96 -52.53 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -39.15 93.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.63 72.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.84 42.21 8.35 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 mt -109.07 -22.29 12.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.1 m -46.93 -53.03 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.37 -56.65 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -52.17 -48.31 65.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.8 mt -75.39 -4.4 39.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.3 t-20 -86.78 -24.86 24.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.79 157.03 20.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -66.03 159.12 26.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.425 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 143.31 -130.22 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' A' ' 83' ' ' ILE . 3.4 m -158.87 130.24 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -156.56 116.31 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.5 m -87.56 105.24 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -107.2 156.16 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 91.7 m-85 -130.0 113.38 14.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.147 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.45 116.89 59.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.484 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.94 173.12 15.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.4 p -75.21 -179.44 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.444 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.23 -45.37 56.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -15.35 58.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -66.63 -54.54 22.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.484 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 46.1 m-85 -65.43 -29.44 70.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -67.07 -27.94 67.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.239 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.59 69.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.0 mt -43.18 138.84 2.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 166.96 28.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.76 18.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.09 -33.07 15.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -96.01 -17.14 21.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' CG ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -64.25 -67.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 66' ' ' GLY . 36.7 t -58.74 -23.87 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -58.98 -50.38 74.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.3 mt -88.1 -45.17 10.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.43 HD11 ' CG ' ' A' ' 61' ' ' ARG . 23.4 mt -63.74 -16.69 61.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -106.85 -75.88 0.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.98 128.42 36.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -82.66 -50.31 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -40.82 -58.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -36.0 78.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.8 OUTLIER -52.15 -69.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -50.46 -48.66 56.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ALA . 11.0 t30 -39.69 -46.75 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.465 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 32.0 mm -70.05 -59.17 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 7.8 mt -44.05 -54.67 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -46.14 -54.49 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.56 ' CE1' HD21 ' A' ' 103' ' ' LEU . 77.0 t80 -61.35 -21.78 64.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 9.8 m80 -84.53 -19.38 33.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.617 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mt -101.33 144.97 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.42 163.39 12.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -101.46 40.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 171.54 160.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.455 ' CG2' HG13 ' A' ' 130' ' ' VAL . 4.9 mm -89.66 134.14 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.503 ' CD1' ' CG1' ' A' ' 93' ' ' VAL . 5.7 tt -141.81 119.98 12.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 87' ' ' GLY . 34.6 m -136.22 159.56 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 t -69.47 67.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -133.63 53.98 0.78 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.03 62.99 0.24 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.75 102.88 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -53.93 -39.47 62.71 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.26 -51.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 93' ' ' VAL . 3.0 tm? -141.58 154.12 45.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.503 ' CG1' ' CD1' ' A' ' 84' ' ' LEU . 35.1 t -142.8 136.7 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -103.8 114.93 29.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.481 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -106.42 115.75 30.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -69.46 123.6 21.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -93.28 149.89 20.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.0 mp -58.6 -35.82 73.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.94 -19.28 51.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 114.16 -44.69 1.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.55 131.4 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 0.735 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 129.24 34.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.56 HD21 ' CE1' ' A' ' 77' ' ' TYR . 32.8 mt -85.04 155.97 21.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.03 131.57 55.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -141.83 124.9 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -138.57 174.79 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 27.3 tp -124.67 117.38 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -135.9 134.04 38.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 1.2 t-20 61.11 16.35 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 2.2 t-20 81.96 10.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.1 t -107.97 150.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.3 t -104.33 133.25 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.65 149.35 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 11.1 p -134.24 102.86 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 1.6 m-20 75.46 33.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt 71.8 25.37 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -116.84 138.91 25.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 132.94 15.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.474 HG12 ' CG ' ' A' ' 122' ' ' PRO . 56.5 t -87.68 146.94 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -76.27 -66.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -146.73 88.67 5.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.474 ' CG ' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -75.0 173.08 15.12 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 4.4 t70 76.62 60.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.458 HD12 ' CG2' ' A' ' 133' ' ' VAL . 11.9 mt -113.19 93.04 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -65.84 141.63 58.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -122.76 -166.35 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.507 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 81.8 p -85.78 -23.86 27.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -158.58 48.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 163.23 -165.83 36.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.455 HG13 ' CG2' ' A' ' 83' ' ' ILE . 5.2 p -139.9 170.55 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.457 ' CG2' HG22 ' A' ' 11' ' ' VAL . 38.8 t -148.1 153.19 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 87.8 m-70 -140.4 99.83 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 120' ' ' ALA . 64.7 t -57.57 129.16 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.467 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.2 pt -106.5 171.39 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 24.3 p -118.83 30.6 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 179.39 148.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.91 110.67 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 25.5 mt -61.3 161.8 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -139.6 151.32 66.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.465 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.01 159.19 41.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.3 t -91.26 -51.58 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.75 -166.61 42.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -50.69 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.69 131.61 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.4 t -142.41 -58.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.037 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 p -99.56 -56.87 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 110.024 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 p -155.02 124.89 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.81 135.84 4.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.32 95.24 2.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.79 136.32 56.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.81 -167.87 13.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mtt 66.17 128.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.4 104.42 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.502 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 6.1 p -63.06 156.59 24.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.464 HG21 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.6 -59.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.422 ' HG2' ' CB ' ' A' ' 37' ' ' LEU . 14.4 mmm -57.49 -47.9 80.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -55.94 -48.86 74.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 t -44.78 -29.64 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 mt -85.51 -42.71 14.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 13' ' ' ASP . 15.9 mttt -59.41 -45.51 91.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.58 34.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.18 130.41 41.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.88 -34.09 59.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -44.55 -41.4 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -109.16 58.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.7 p -88.73 -54.17 4.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.2 mtp -52.91 -42.12 65.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.492 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.8 tp -53.97 -59.61 4.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 28' ' ' ILE . 79.7 t -43.08 -54.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.73 -39.02 4.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.462 ' CB ' HD23 ' A' ' 71' ' ' LEU . . . -66.36 -44.32 83.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.476 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 66.7 mt -63.03 -49.71 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -52.13 65.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -37.73 86.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.417 ' CB ' HD12 ' A' ' 75' ' ' LEU . . . -68.51 -30.91 69.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.38 34.01 15.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mt -102.13 -24.36 13.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.4 m -43.72 -50.17 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.4 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -53.99 51.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -54.33 -33.88 59.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 ' CB ' ' HG2' ' A' ' 12' ' ' MET . 22.6 mt -91.17 4.33 52.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -101.43 -21.84 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.98 151.99 23.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 155.68 7.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.439 ' O ' ' CG1' ' A' ' 42' ' ' VAL . . . 141.96 -134.45 6.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 83' ' ' ILE . 11.4 m -157.56 131.52 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -155.71 117.9 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -89.4 102.37 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -104.34 156.44 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 80.4 m-85 -129.94 112.87 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.492 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.3 117.9 56.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.95 -179.14 4.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.7 p -86.48 178.22 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.68 -43.09 73.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -17.17 64.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -66.62 -58.3 5.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 71.0 m-85 -62.96 -36.68 84.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -60.15 -23.02 63.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.07 50.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 10.0 mt -54.4 141.35 53.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -74.97 175.2 11.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.4 20.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -84.67 -55.41 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.9 -15.82 63.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 2.0 ttp180 -70.36 -73.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -19.22 15.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -60.06 -45.89 91.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.7 mt -97.53 -46.77 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 75.5 mt -60.07 -28.66 67.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.15 -85.35 1.06 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.18 119.53 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.7 78.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -57.82 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.74 -29.35 69.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.462 HD23 ' CB ' ' A' ' 27' ' ' ALA . 1.6 tt -61.33 -65.02 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.71 -45.52 66.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -42.07 -50.71 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.407 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 31.7 mm -64.41 -56.46 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 5.0 mt -46.58 -51.93 14.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -49.4 -52.04 31.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -65.92 -19.18 65.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.0 m80 -86.26 -20.18 28.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.2 mt -101.13 147.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.55 176.56 17.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -117.03 38.04 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 178.43 158.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 42' ' ' VAL . 5.1 mm -92.25 101.86 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.451 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 2.5 tt -115.15 121.58 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.407 ' N ' HD21 ' A' ' 84' ' ' LEU . 18.7 m -136.46 175.64 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -78.99 55.12 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.016 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.57 -56.03 0.45 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.093 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.77 58.04 0.71 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 90' ' ' GLY . 43.7 mm -63.74 -112.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 91' ' ' ALA . . . 127.72 60.47 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 90' ' ' GLY . . . 79.38 -71.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 93' ' ' VAL . 1.7 tm? -147.76 152.15 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.427 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 24.7 t -142.71 141.89 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -104.94 106.01 16.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.3 116.99 27.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.1 122.12 21.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 p -92.56 177.69 6.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.5 mt -85.44 -45.68 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -47.63 -29.55 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 125.57 -40.73 1.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.45 133.82 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 133.28 35.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.7 mt -89.32 147.8 23.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.98 130.37 53.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -139.98 127.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 p -140.72 171.19 14.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.1 tp -125.44 113.86 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -137.64 135.79 36.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 12.9 t30 59.59 18.75 7.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.5 t-20 76.25 15.99 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.4 t -110.17 139.48 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.7 t -99.62 139.82 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.74 150.74 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.407 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 7.7 p -138.23 104.88 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 6.8 m-20 75.02 31.56 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 70.55 29.46 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -122.63 144.53 42.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 140.16 25.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.481 HG13 ' CG ' ' A' ' 122' ' ' PRO . 72.1 t -97.22 147.7 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -79.27 -65.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -147.6 88.62 5.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.481 ' CG ' HG13 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.99 -178.4 4.14 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.798 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.439 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 2.4 m-20 63.32 65.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.457 ' CD1' HG13 ' A' ' 131' ' ' VAL . 20.8 mt -113.23 92.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 3.6 mmt -58.93 134.7 57.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -122.15 -166.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.502 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 43.4 p -85.4 -34.63 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.449 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.59 49.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 166.54 -164.69 37.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.422 HG12 ' NE2' ' A' ' 132' ' ' HIS . 0.9 OUTLIER -141.08 170.28 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' A' ' 11' ' ' VAL . 28.9 t -148.35 147.91 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 80.3 m-70 -137.56 97.14 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 120' ' ' ALA . 89.5 t -56.78 130.99 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.476 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.1 pt -106.05 171.29 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 40.7 p -118.81 31.75 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.391 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 174.43 144.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.9 125.18 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 20.3 mt -77.53 157.77 30.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -139.2 151.48 67.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.407 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.0 168.54 24.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.7 104.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.76 157.58 24.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.33 14.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 15.0 t -149.73 106.57 3.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.0 157.48 11.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t 67.91 88.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.943 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -160.66 144.84 13.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.12 -148.92 20.95 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -64.19 -54.41 34.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.48 100.52 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.02 -177.44 14.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.76 128.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.23 106.7 0.62 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.456 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 3.7 p -60.65 157.85 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.407 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.476 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.01 -56.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 8.0 mmm -61.41 -52.76 63.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.3 m-20 -49.75 -47.86 50.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -45.88 -36.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.403 HD22 ' CB ' ' A' ' 47' ' ' ALA . 13.6 mt -73.53 -37.96 65.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 13' ' ' ASP . 15.5 mttt -64.13 -41.11 97.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.01 -56.48 24.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.68 129.39 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -72.93 -42.34 63.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -39.99 -43.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CZ ' HG21 ' A' ' 133' ' ' VAL . 1.3 m-85 -103.8 54.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 p -89.16 -66.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.03 -31.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.74 -56.67 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.4 t -42.24 -51.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.43 -51.67 8.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.46 -55.75 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.483 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 5.1 mt -51.48 -64.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -45.29 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -50.01 68.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.05 -32.56 72.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.24 42.73 5.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.08 -20.95 13.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 38' ' ' ASN . 9.3 m -45.95 -53.69 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.4 mt-10 -54.32 -57.4 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -44.69 -50.03 10.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.72 -21.7 59.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' GLU . 8.2 t-20 -67.83 -31.09 70.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -79.75 143.71 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.62 159.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.72 -137.5 8.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.478 ' HB ' ' CD1' ' A' ' 83' ' ' ILE . 3.7 m -155.0 130.98 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -156.63 118.75 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 m -88.98 105.47 17.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 t -110.44 155.88 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 98.6 m-85 -127.91 114.05 16.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -103.72 116.82 61.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.02 -175.9 2.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -90.69 -172.15 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -75.94 -46.63 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -19.64 62.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -63.6 -58.89 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 53.2 m-85 -62.49 -34.88 77.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -64.12 -24.31 67.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.03 -43.1 59.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.6 mt -42.11 143.49 1.01 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 163.0 36.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.52 8.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.48 -32.67 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -95.9 -17.21 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -73.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.7 t -52.71 -23.04 5.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -57.65 -68.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.91 -48.34 71.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.98 -15.54 32.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -97.35 -85.32 1.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.23 141.31 57.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.37 -47.51 8.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -42.31 -67.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.47 -40.65 59.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.21 -70.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.99 -38.06 35.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -51.17 -46.02 61.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.472 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 24.4 mm -69.99 -52.25 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.483 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 8.0 mt -50.88 -53.18 34.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -47.34 -53.84 12.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.416 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 78.9 t80 -62.22 -20.53 64.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.4 m80 -84.34 -18.75 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.621 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' HB ' ' CD2' ' A' ' 98' ' ' LEU . 2.9 mt -103.17 146.84 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 79' ' ' ILE . . . -112.42 176.05 17.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -114.52 45.12 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.439 ' HG2' ' CD2' ' A' ' 95' ' ' LEU . 1.1 pt-20 171.65 158.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 42' ' ' VAL . 4.4 mm -92.06 121.14 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.453 HD11 ' CG1' ' A' ' 93' ' ' VAL . 4.4 tt -124.47 120.65 32.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 130' ' ' VAL . 31.0 m -134.88 162.0 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.0 p -71.05 61.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.34 82.76 0.19 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.89 48.56 1.01 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -106.25 103.76 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.37 -39.6 90.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -175.87 -60.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -141.54 146.02 35.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.453 ' CG1' HD11 ' A' ' 84' ' ' LEU . 39.5 t -135.85 148.54 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -105.87 106.52 17.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.439 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 1.1 tt -90.3 115.17 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.417 ' N ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -69.54 130.68 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 101' ' ' ASP . 1.4 p -105.63 149.89 25.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.453 ' CD2' ' HB ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -59.48 -47.41 85.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.416 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 5.7 tm0? -44.75 -34.82 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.96 -46.94 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' A' ' 97' ' ' SER . 0.4 OUTLIER -65.64 133.9 52.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.267 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -80.42 134.13 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.78 143.49 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -102.34 130.37 49.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.35 125.1 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 p -136.81 177.95 7.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 51.8 tp -137.25 106.7 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -133.39 143.0 48.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 13.8 m120 56.5 18.92 3.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.3 t-20 75.19 18.07 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.47 137.93 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -100.8 141.12 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.01 152.74 51.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 12.6 p -139.09 106.87 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 73.1 28.91 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt 73.64 30.16 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -122.88 143.5 40.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.97 18.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 120' ' ' ALA . 79.4 t -92.57 153.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -83.53 -69.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -145.04 86.57 7.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.42 ' O ' ' CB ' ' A' ' 123' ' ' ASP . 18.4 Cg_endo -74.97 177.91 7.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 2.6 t70 75.72 61.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.455 ' CD1' HG12 ' A' ' 131' ' ' VAL . 11.7 mt -115.83 93.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.6 mmt -68.5 132.34 46.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.09 -167.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.456 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 18.8 p -88.99 -9.8 50.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.66 47.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 160.32 -166.12 35.14 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.46 HG22 ' CG1' ' A' ' 85' ' ' VAL . 0.6 OUTLIER -138.39 169.99 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.476 ' CG2' HG23 ' A' ' 11' ' ' VAL . 24.5 t -148.25 149.42 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 67.5 m-70 -137.84 102.1 4.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.603 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.494 HG21 ' CZ ' ' A' ' 21' ' ' PHE . 93.5 t -59.67 122.16 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.416 HG13 ' CA ' ' A' ' 48' ' ' PRO . 43.0 pt -100.73 167.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 42.2 p -116.7 39.34 3.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.86 149.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.2 t -78.61 115.33 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 14.0 mt -65.97 158.26 28.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -143.96 146.98 36.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.472 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.1 Cg_endo -75.03 146.24 32.29 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.5 p -48.23 -74.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 70.99 -162.19 54.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.7 m -70.39 157.44 37.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.1 m 43.44 82.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.59 144.83 32.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.74 117.0 11.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.99 -170.71 24.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.18 114.51 3.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 m -171.41 131.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.1 -141.27 4.02 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 mtm -165.74 124.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.783 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.04 110.53 0.78 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.522 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 7.7 p -53.15 154.46 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.401 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.433 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -39.59 -55.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.2 mmm -60.16 -55.28 35.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' LYS . 10.5 m-20 -49.6 -48.85 48.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 t -44.56 -34.34 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 HD23 ' CB ' ' A' ' 47' ' ' ALA . 12.2 mt -78.08 -40.42 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 13' ' ' ASP . 15.5 mttt -65.19 -44.82 87.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.41 -63.44 4.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.72 140.27 56.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 0.785 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -80.0 -36.67 35.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.2 -30.69 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.44 ' CZ ' HG22 ' A' ' 133' ' ' VAL . 3.5 m-85 -117.34 53.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.0 p -88.44 -68.92 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.6 mtp -41.12 -43.18 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.3 tp -49.4 -57.93 6.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.3 t -42.52 -51.34 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.25 -46.26 8.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.463 ' HB1' ' CD2' ' A' ' 71' ' ' LEU . . . -59.68 -45.33 92.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.454 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 10.6 mt -64.99 -50.5 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.55 -45.69 69.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -45.42 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.52 67.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.32 42.96 26.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mt -104.73 -23.43 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -40.52 -56.66 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -57.13 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -52.52 -34.52 50.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.5 mt -93.43 8.39 40.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.54 -19.02 13.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -87.3 145.9 26.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -54.28 142.87 24.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.76 -132.59 3.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -159.54 130.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -156.27 119.9 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.9 m -89.91 100.72 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.26 155.94 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 82.5 m-85 -128.95 109.45 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.478 ' CB ' HD23 ' A' ' 15' ' ' LEU . . . -104.06 117.75 58.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.447 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -74.99 -177.19 3.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.9 p -87.91 -172.22 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -51.91 11.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.15 -21.87 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -58.92 -55.16 38.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' LEU . 44.4 m-85 -62.65 -48.8 77.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -22.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.35 -39.84 58.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' PHE . 14.0 mt -49.37 142.46 10.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -75.02 172.96 15.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.47 18.05 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -93.62 -42.95 8.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.7 -18.49 51.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -69.0 -74.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -19.84 8.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -47.91 79.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 mt -90.47 -47.46 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' CD1' ' HD3' ' A' ' 61' ' ' ARG . 95.7 mt -61.43 -17.34 53.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.4 -80.93 1.54 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.01 125.2 22.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.32 -42.59 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -61.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -29.66 67.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' ' HB1' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -57.4 -69.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.88 -40.54 43.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -48.66 -47.55 40.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 26.2 mm -68.85 -53.26 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 10.8 mt -49.25 -45.99 45.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -51.74 -55.11 21.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.424 ' CE1' HD22 ' A' ' 103' ' ' LEU . 89.8 t80 -63.66 -15.41 58.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.3 m80 -88.11 -20.06 26.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.402 ' CD1' ' O ' ' A' ' 75' ' ' LEU . 3.2 mt -101.08 151.62 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.75 169.69 13.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.485 ' CG ' ' CD2' ' A' ' 98' ' ' LEU . 3.6 m-20 -100.59 12.07 38.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -166.58 165.5 16.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' A' ' 42' ' ' VAL . 8.7 mm -90.42 126.34 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.478 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 2.3 tt -131.52 119.84 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 87' ' ' GLY . 26.9 m -136.46 171.57 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.2 p -69.95 60.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -103.2 58.33 0.54 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.4 73.02 0.84 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.423 HG23 ' CG2' ' A' ' 93' ' ' VAL . 27.2 mm -72.21 -117.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.401 ' N ' ' CG2' ' A' ' 89' ' ' ILE . . . 172.42 -49.61 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -167.08 -56.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 93' ' ' VAL . 1.4 tm? -148.82 148.38 29.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 105' ' ' VAL . 98.6 t -137.2 123.26 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -91.33 117.25 29.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 96' ' ' LYS . 2.5 tt -104.82 117.78 34.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.421 ' N ' HD22 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -74.95 110.18 9.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 98' ' ' LEU . 11.5 t -78.84 177.42 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.032 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.485 ' CD2' ' CG ' ' A' ' 81' ' ' ASP . 8.8 mt -82.08 -47.53 12.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -34.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.14 -43.09 1.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.78 136.6 57.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.43 126.39 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.424 HD22 ' CE1' ' A' ' 77' ' ' TYR . 49.5 mt -81.43 163.19 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.84 130.74 49.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 93' ' ' VAL . 3.4 t -142.67 124.72 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 p -129.37 174.2 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.414 ' CD1' ' CG2' ' A' ' 112' ' ' VAL . 23.3 tp -135.19 112.89 10.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -137.46 145.24 42.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.2 m120 56.59 18.57 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.8 t-20 78.32 7.36 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.1 t -105.1 142.7 17.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.414 ' CG2' ' CD1' ' A' ' 107' ' ' LEU . 68.2 t -95.95 145.79 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.03 152.54 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.73 106.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 16.1 m-20 71.56 34.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 4.8 mtmm 68.79 34.73 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -126.82 142.29 43.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.54 20.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.479 HG12 ' CG ' ' A' ' 122' ' ' PRO . 55.4 t -93.3 149.88 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -81.27 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -147.3 88.14 5.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.479 ' CG ' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.97 -178.07 3.9 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.92 65.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.451 ' CD1' HG13 ' A' ' 131' ' ' VAL . 14.5 mt -114.89 92.29 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 3.9 mmt -60.47 130.01 44.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.32 -166.2 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.522 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 17.2 p -93.56 -10.09 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -170.59 45.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 162.43 -163.7 35.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.406 ' HB ' ' CG2' ' A' ' 83' ' ' ILE . 0.7 OUTLIER -137.53 169.56 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 124' ' ' ILE . 24.7 t -149.0 145.98 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 67.9 m-70 -136.41 97.88 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 120' ' ' ALA . 92.7 t -57.18 127.56 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.447 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.3 pt -105.49 171.46 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 61.4 p -118.33 35.23 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 175.09 149.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 80.8 t -78.85 107.06 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 27.7 mt -56.78 157.63 5.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -141.05 151.55 62.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.96 165.63 30.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.4 p -75.94 -69.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 56.32 177.1 0.3 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 73.68 4.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 30.1 t -178.55 92.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.11 80.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -108.63 -62.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p -175.88 118.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.21 78.83 0.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -165.97 164.7 18.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 t -78.58 151.18 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.96 -107.57 0.35 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptm -179.88 137.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.51 115.45 0.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.509 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 20.0 p -61.33 161.98 8.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.476 HG21 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -43.91 -49.88 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.4 mmm -62.98 -55.98 21.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -50.15 -44.39 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -48.18 -33.57 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' A' ' 47' ' ' ALA . 8.7 mt -81.27 -43.02 19.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -59.64 -49.12 78.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.86 -56.19 19.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.83 122.55 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -67.86 -33.82 75.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -53.76 -26.98 26.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 133' ' ' VAL . 2.8 m-85 -118.55 44.88 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -86.94 -51.76 5.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.957 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -34.68 68.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.428 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 7.5 tp -61.09 -52.74 63.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.4 t -45.0 -51.55 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.17 -38.48 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.424 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . . . -67.04 -46.29 74.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 18.8 mt -65.51 -48.47 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -53.91 44.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -40.82 97.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' CB ' HD11 ' A' ' 75' ' ' LEU . . . -62.01 -32.32 72.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.61 41.83 9.58 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -106.91 -24.43 12.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' ASN . 15.5 m -41.91 -51.21 4.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.366 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -57.47 10.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -55.24 -28.76 55.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -95.81 3.42 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.1 t-20 -105.16 -20.44 13.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.93 145.77 31.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -57.18 136.32 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.62 -129.97 2.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.429 1.08 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -159.17 130.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -156.27 119.84 4.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 m -91.47 107.1 18.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -110.84 157.71 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 94.7 m-85 -128.82 116.07 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.464 ' CB ' HD21 ' A' ' 15' ' ' LEU . . . -108.49 117.1 55.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.97 167.14 27.71 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.756 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.9 p -67.17 -177.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -78.03 -39.7 41.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -12.05 61.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.92 -60.71 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.558 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 60.8 m-85 -60.22 -32.48 71.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -64.03 -26.97 68.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.72 -40.33 55.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.88 139.39 3.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -74.99 174.08 13.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.29 21.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -87.18 -43.89 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.19 -23.2 51.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -65.5 -76.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -53.49 -28.35 30.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -46.02 72.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -97.72 -47.01 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.82 -15.71 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -98.49 -79.64 1.47 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.03 132.9 55.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.16 -47.16 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -46.84 -56.28 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.79 -32.53 72.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' CD2' ' HB3' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -57.3 -70.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.98 -42.05 59.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -46.53 -49.15 19.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mm -65.99 -54.53 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 6.2 mt -48.37 -52.36 22.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -45.68 -51.24 12.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -64.69 -24.3 67.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 11.5 m80 -81.88 -20.65 38.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.1 mt -101.7 150.0 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.03 177.29 16.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -112.96 38.14 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 174.16 161.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 42' ' ' VAL . 8.4 mm -93.15 130.71 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.415 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 4.1 tt -136.85 120.02 16.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.63 168.84 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.7 p -72.47 60.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.06 71.1 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.4 42.31 0.83 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 90' ' ' GLY . 9.3 mm -67.64 -112.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.42 ' N ' ' CG2' ' A' ' 89' ' ' ILE . . . 128.68 62.82 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 74.4 -70.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 93' ' ' VAL . 1.7 tm? -146.72 151.33 37.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.419 ' N ' HD12 ' A' ' 92' ' ' LEU . 8.7 t -141.23 140.01 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -104.9 113.49 27.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.454 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 1.0 OUTLIER -95.38 119.55 34.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' N ' HD21 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -69.38 127.33 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -101.71 174.36 5.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.53 -45.2 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.94 -30.39 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.54 -43.98 1.28 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.31 129.95 40.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.92 139.28 40.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.64 138.39 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.72 130.56 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.32 127.18 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 p -140.74 173.1 11.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 45.0 tp -125.29 108.32 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -129.12 138.61 51.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 58.46 19.16 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 75.17 19.33 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.9 t -114.98 143.9 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.1 144.06 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.94 150.22 45.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.455 HG23 ' CZ ' ' A' ' 46' ' ' PHE . 4.3 p -135.76 101.65 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 3.2 m-20 78.75 31.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.404 ' C ' ' OE1' ' A' ' 117' ' ' GLU . 0.0 OUTLIER 76.6 1.33 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -92.55 142.23 25.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.31 26.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 120' ' ' ALA . 96.6 t -99.4 158.4 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.422 ' N ' HG12 ' A' ' 119' ' ' VAL . . . -92.53 -81.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -124.33 87.11 54.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.37 4.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.71 64.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.449 ' CD1' HG13 ' A' ' 131' ' ' VAL . 17.0 mt -112.34 92.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 4.3 mmt -63.31 130.7 45.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -113.03 -166.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.509 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 43.8 p -90.85 -15.83 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.429 ' N ' HD21 ' A' ' 128' ' ' ASN . 0.2 OUTLIER -166.23 45.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 163.26 -167.72 37.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.471 ' CG1' HG22 ' A' ' 83' ' ' ILE . 1.7 p -133.56 170.24 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.476 ' CG2' HG21 ' A' ' 11' ' ' VAL . 24.3 t -147.89 147.58 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.585 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 69.0 m-70 -136.65 97.17 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.562 HG12 ' CZ ' ' A' ' 21' ' ' PHE . 86.8 t -58.92 126.87 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.454 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.2 pt -104.33 170.63 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 4.9 p -110.81 23.73 13.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.455 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 174.91 152.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 64.4 t -70.53 132.09 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 21.7 mt -77.52 162.77 26.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -142.5 144.54 30.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.91 28.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.5 t 57.3 161.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -76.64 156.59 46.52 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.77 2.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 36.1 p -44.72 -57.41 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.994 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.4 t -74.76 155.57 37.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t 56.44 79.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.63 -58.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.31 141.76 11.45 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.04 133.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.798 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.32 143.51 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.72 129.17 49.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.0 129.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.89 101.24 0.48 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' VAL . 4.8 p -68.43 154.56 41.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 0.719 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -38.74 -55.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.401 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 10.5 mmm -55.54 -46.77 77.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -58.06 -48.18 80.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.42 -30.67 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -81.21 -41.22 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -60.91 -43.3 98.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.35 -53.87 42.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.72 130.89 44.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -78.08 -42.82 30.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -38.45 -43.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CZ ' HG12 ' A' ' 133' ' ' VAL . 4.5 m-85 -107.46 55.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 p -82.4 -58.99 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.952 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.13 -44.54 32.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 tp -47.63 -53.79 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 28' ' ' ILE . 38.5 t -47.37 -58.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.53 -49.25 4.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.38 -46.74 73.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 9.7 mt -64.19 -56.59 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -48.53 -42.47 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -46.71 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 -32.61 71.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.69 40.72 8.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.35 -19.2 14.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.5 m -48.31 -52.68 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.8 mt-10 -48.75 -59.12 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -45.14 -54.49 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 9.0 mt -68.41 -19.87 64.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 5.3 t-20 -70.06 -27.58 64.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -82.05 140.72 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.05 143.25 39.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.52 -133.45 3.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.122 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.441 ' CG1' HG12 ' A' ' 83' ' ' ILE . 1.6 m -154.34 130.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -157.35 117.34 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.1 m -87.85 110.16 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.1 t -113.8 157.92 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 86.0 m-85 -128.94 117.97 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.97 117.73 58.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.485 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -74.96 -179.67 5.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.8 p -78.67 -171.41 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -80.09 -47.65 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.07 -12.62 60.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -62.78 -49.66 74.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.419 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 38.4 m-85 -68.56 -45.37 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -55.49 -25.83 39.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.14 -46.3 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.9 mt -42.87 140.11 1.95 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 165.82 30.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.32 9.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -94.32 -41.88 9.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.7 tp10 -93.53 -47.72 6.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -62.22 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -50.55 -50.88 52.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.09 -54.84 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.8 mt -51.84 -59.68 4.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -60.55 -17.02 43.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.369 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.8 -94.8 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -61.1 122.74 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.61 75.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.73 -64.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.84 -37.72 63.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.97 -70.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.87 -37.52 6.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -49.87 -49.84 47.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.467 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 21.8 mm -65.02 -52.14 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 7.7 mt -51.07 -49.51 60.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -50.2 -54.34 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -62.58 -17.46 60.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -87.95 -21.3 24.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.635 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.4 mt -101.49 147.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.55 169.09 12.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -106.07 39.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 171.19 162.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.441 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.7 mm -88.3 130.86 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.468 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 4.1 tt -138.51 119.81 14.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.8 m -138.12 176.84 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 p -77.47 55.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.21 62.38 0.88 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.0 75.52 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.453 HG23 ' CG2' ' A' ' 93' ' ' VAL . 27.6 mm -74.25 -116.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.03 -52.32 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -161.91 -56.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.353 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.422 ' CD2' ' HG2' ' A' ' 104' ' ' GLU . 1.9 tm? -148.32 151.16 34.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.453 ' CG2' HG23 ' A' ' 89' ' ' ILE . 96.5 t -138.95 120.92 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -90.26 114.76 26.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.44 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -104.84 113.96 27.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.5 128.84 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 p -101.3 173.2 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.74 -57.59 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -39.49 -31.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.94 -44.06 1.27 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 133.24 51.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -78.93 135.22 36.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.3 mt -88.59 133.4 34.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.422 ' HG2' ' CD2' ' A' ' 92' ' ' LEU . 1.3 tt0 -96.98 130.61 44.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.98 125.89 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.1 p -131.23 178.45 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.6 tp -134.17 108.14 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.04 137.36 42.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 96.4 m-20 59.61 17.93 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.5 t-20 74.89 22.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.3 t -116.06 140.48 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 75.0 t -99.16 136.0 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.49 152.96 48.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -134.82 110.82 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 68.75 30.75 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 74.05 27.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -118.99 142.79 32.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.53 19.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 120' ' ' ALA . 53.5 t -91.45 151.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.473 ' CB ' HG21 ' A' ' 135' ' ' THR . . . -81.82 -69.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -143.88 87.65 7.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.434 ' CG ' HG12 ' A' ' 119' ' ' VAL . 18.1 Cg_endo -75.03 177.61 8.37 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.4 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 7.1 t0 73.8 56.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.471 HD12 ' CG2' ' A' ' 133' ' ' VAL . 10.4 mt -109.34 92.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.3 mmt -67.07 132.96 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.02 -169.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -93.92 2.15 56.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -175.6 49.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.0 -159.01 27.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.02 170.42 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 124' ' ' ILE . 40.4 t -147.83 152.78 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.581 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 84.7 m-70 -138.64 102.02 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.515 HG12 ' CZ ' ' A' ' 21' ' ' PHE . 98.2 t -59.89 126.95 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.448 HG13 ' HB3' ' A' ' 48' ' ' PRO . 12.9 pt -105.0 165.82 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.473 HG21 ' CB ' ' A' ' 120' ' ' ALA . 30.8 p -111.1 29.56 7.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 175.42 147.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 93.3 t -74.27 127.66 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.559 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 23.8 mt -75.66 161.34 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -141.13 150.38 58.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.467 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.95 144.23 30.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.533 1.807 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.57 -179.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -48.09 157.31 0.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 175.7 10.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.83 -60.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 82.6 p -54.12 129.36 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.85 115.24 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -173.31 162.71 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.95 -176.24 22.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.07 92.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.989 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.39 117.29 19.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.74 -169.75 13.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mtm -154.57 -167.0 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 0.808 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.0 104.76 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.448 ' CG2' HG21 ' A' ' 127' ' ' THR . 3.2 p -68.48 155.26 40.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -37.71 -51.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -47.88 79.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.0 m-20 -62.28 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -49.24 -34.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.53 -41.33 55.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CG ' HG13 ' A' ' 25' ' ' VAL . 16.6 mttt -65.38 -46.73 78.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.3 -46.15 80.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.29 137.8 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -84.46 -41.07 16.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -42.25 -41.92 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 133' ' ' VAL . 5.7 m-85 -108.01 58.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -89.17 -45.48 9.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.963 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -36.87 80.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.578 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.2 tp -58.11 -55.43 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.472 HG13 ' CG ' ' A' ' 16' ' ' LYS . 44.2 t -44.12 -54.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.12 -46.76 4.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' CB ' HD23 ' A' ' 71' ' ' LEU . . . -59.32 -45.14 92.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.481 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 26.6 mt -60.3 -57.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -52.34 47.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -45.59 93.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.418 ' HB2' ' CB ' ' A' ' 72' ' ' ALA . . . -63.12 -33.14 74.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 86.14 41.12 7.19 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 75' ' ' LEU . 2.5 mt -109.13 -18.42 13.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.736 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.9 m -49.95 -37.62 32.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.5 mt-10 -63.09 -58.39 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -49.03 -36.73 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 mt -81.5 -22.51 37.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLU . 2.9 t-20 -68.68 -32.84 72.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -78.71 141.95 37.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.74 155.11 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.67 -139.79 7.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -150.8 130.37 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.463 ' HB3' ' CG2' ' A' ' 79' ' ' ILE . 61.9 m-85 -156.95 117.91 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.1 m -85.44 102.05 13.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -104.82 157.25 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 95.2 m-85 -129.98 111.19 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.578 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -103.99 117.6 59.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -75.04 -172.51 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 p -91.71 -168.77 2.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.35 -52.54 8.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -14.26 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -65.68 -59.26 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 40.3 m-85 -58.79 -37.64 76.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -62.67 -26.51 68.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.71 83.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.8 mt -52.69 151.78 7.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 174.08 13.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.27 -63.09 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.88 -43.48 49.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -53.84 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' GLY . 3.8 t -44.8 -34.24 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -67.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.0 -53.7 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.71 -16.9 44.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.16 -92.57 1.04 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.64 142.47 57.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.98 -45.81 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -57.76 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.19 -41.37 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -53.18 -69.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.418 ' CB ' ' HB2' ' A' ' 31' ' ' ALA . . . -46.65 -42.12 15.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -45.3 -55.44 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 27.8 mm -58.65 -51.35 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 7.8 mt -51.21 -47.14 62.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -53.87 -49.6 68.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -69.44 -6.31 29.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.6 m80 -98.31 -21.26 16.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.649 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 43' ' ' TYR . 3.0 mt -102.0 147.16 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 95' ' ' LEU . . . -112.39 166.74 12.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -99.3 28.47 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -177.94 163.26 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.461 HG12 ' CG1' ' A' ' 42' ' ' VAL . 14.4 mm -88.88 131.35 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.464 HD12 ' CG1' ' A' ' 93' ' ' VAL . 8.6 tt -130.01 119.52 23.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.96 159.57 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.5 p -71.4 59.25 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.91 52.22 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.16 66.39 1.08 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.433 ' CG2' HG22 ' A' ' 93' ' ' VAL . 19.7 mm -74.7 -115.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.4 -52.99 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.72 -69.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 tp -136.81 126.46 25.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.464 ' CG1' HD12 ' A' ' 84' ' ' LEU . 74.3 t -110.05 144.38 18.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -107.86 108.95 20.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.464 ' CD2' ' HA3' ' A' ' 80' ' ' GLY . 5.7 tt -93.54 133.71 36.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.43 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -88.42 109.75 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.7 t -86.37 175.2 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.56 -36.79 13.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -48.47 -32.25 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.87 -45.51 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.31 130.5 40.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 131.8 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' LEU . 10.9 mt -77.32 164.77 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -129.82 129.74 44.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -143.3 122.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 p -129.76 164.53 23.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.7 tp -127.45 113.17 15.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.47 146.93 46.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 45.8 m-80 56.74 19.17 4.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 7.8 t-20 76.88 11.58 2.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 t -108.54 146.62 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 66.5 t -96.56 135.3 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.84 149.25 50.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.051 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.72 110.76 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 67.78 31.24 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.37 34.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.41 142.87 44.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.39 20.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.477 HG13 ' CG ' ' A' ' 122' ' ' PRO . 73.9 t -92.6 146.42 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -75.84 -64.61 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -149.23 88.63 5.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.477 ' CG ' HG13 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.93 174.22 13.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.44 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 0.1 OUTLIER 75.15 58.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.464 HD11 ' CG2' ' A' ' 133' ' ' VAL . 10.4 mt -110.43 93.08 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.81 125.39 26.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -106.9 -169.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.448 HG21 ' CG2' ' A' ' 10' ' ' THR . 0.4 OUTLIER -95.77 9.06 41.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -179.45 52.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.49 -158.72 27.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.414 HG12 ' CG2' ' A' ' 83' ' ' ILE . 4.1 p -141.89 170.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 124' ' ' ILE . 39.5 t -148.78 151.97 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 87.1 m-70 -138.37 99.69 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.615 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.564 HG21 ' CZ ' ' A' ' 21' ' ' PHE . 84.1 t -57.54 129.9 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.469 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.1 pt -107.59 171.2 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 39.4 p -117.31 26.44 9.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.26 148.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 68.8 t -76.9 107.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 14.2 mt -55.89 160.88 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -141.84 152.61 62.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.94 125.67 9.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 28.6 t -47.96 -48.85 31.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -99.37 175.91 28.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.75 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 10.1 m 63.23 83.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.939 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 m -167.16 109.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 111.016 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.44 155.47 50.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.95 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.36 169.03 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.4 164.32 11.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -146.29 58.98 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 p -162.16 155.61 20.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.25 176.59 0.11 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttt -127.65 -159.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.86 123.5 0.66 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.509 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 5.2 p -64.84 154.93 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.419 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.477 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.02 -54.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.431 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 5.9 mmm -62.51 -49.55 74.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' LYS . 25.1 m-20 -55.18 -45.09 75.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -46.59 -28.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -87.92 -36.08 17.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 13' ' ' ASP . 13.2 mttt -67.52 -37.16 82.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.51 -59.43 7.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -67.64 125.99 27.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -71.19 -32.97 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.19 -37.39 4.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.561 ' CZ ' HG13 ' A' ' 133' ' ' VAL . 5.6 m-85 -113.19 49.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 p -80.72 -52.37 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -45.88 67.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 27' ' ' ALA . 9.8 tp -52.23 -55.88 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' ALA . 55.4 t -41.23 -59.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -39.32 -39.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -61.25 -55.67 29.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 3.4 mt -54.58 -51.39 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.18 -47.32 72.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -49.62 68.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' CB ' HD11 ' A' ' 75' ' ' LEU . . . -59.96 -32.7 71.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 82.54 46.47 6.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mt -108.82 -14.52 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.7 m -47.65 -61.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.434 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.45 -51.0 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -51.07 -50.44 58.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 12' ' ' MET . 8.1 mt -77.58 -9.49 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.2 t-20 -90.9 19.47 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -126.47 145.19 50.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -57.09 151.35 15.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.62 -128.93 3.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.488 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.1 m -153.39 131.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -154.22 115.97 4.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' GLY . 3.6 m -94.0 101.97 14.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -107.11 154.93 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 89.1 m-85 -126.93 113.27 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -105.94 116.95 58.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.1 Cg_endo -75.03 -174.18 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.3 p -98.62 -176.19 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -69.83 -43.89 71.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -14.81 22.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -74.61 -67.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.56 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 70.6 m-85 -57.09 -29.11 63.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -29.99 71.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.15 -41.32 64.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 9.3 mt -43.42 135.68 3.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.02 174.65 12.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.48 20.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.815 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -82.49 -44.78 15.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -19.65 53.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -67.32 -77.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -20.1 3.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -55.7 22.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.59 -46.56 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.16 -14.95 28.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.2 -86.72 1.86 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.85 131.26 50.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.21 -47.84 15.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -40.51 -59.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.86 -41.19 95.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.98 -67.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.67 -41.05 41.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.69 -47.97 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.7 mm -66.93 -49.6 72.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 9.4 mt -52.93 -44.86 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -54.9 -45.82 74.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.425 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 84.5 t80 -72.76 -9.24 58.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.9 m80 -96.53 -18.93 19.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.63 143.89 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -112.52 156.03 15.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -97.42 41.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 0.805 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 175.02 157.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.488 HG12 ' CG1' ' A' ' 42' ' ' VAL . 12.6 mm -92.83 125.1 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.472 HD13 ' CG1' ' A' ' 93' ' ' VAL . 2.7 tt -132.14 120.54 22.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.8 m -134.11 168.07 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.4 p -75.97 67.38 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -131.05 -58.32 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.93 63.53 0.58 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.7 mm -73.82 -111.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.63 62.4 0.12 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 74.51 -71.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' A' ' 93' ' ' VAL . 2.2 tm? -147.97 151.37 35.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.243 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.472 ' CG1' HD13 ' A' ' 84' ' ' LEU . 42.4 t -143.66 145.34 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -105.15 104.51 14.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.474 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.4 OUTLIER -88.92 111.9 22.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -69.94 127.42 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.67 149.16 25.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 mp -50.25 -47.09 55.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.425 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 59.5 tp60 -43.5 -37.7 2.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.11 -46.97 1.04 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.94 130.79 43.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 136.26 39.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.1 mt -92.6 143.46 26.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -94.91 130.18 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -145.51 124.96 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 p -139.18 177.26 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.4 tp -129.1 108.61 10.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.36 136.55 39.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.76 18.6 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.8 t30 72.07 22.48 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.2 t -116.74 136.32 54.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.365 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.77 136.37 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.64 152.4 51.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.033 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -137.74 104.72 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 116' ' ' LYS . 2.5 m-20 74.11 35.24 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 2.9 mtmp? 68.77 28.98 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -120.21 140.56 30.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 134.32 17.7 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 120' ' ' ALA . 54.0 t -90.36 152.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -85.17 -71.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -140.06 87.96 12.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.91 3.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.5 65.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.445 HD13 ' CG2' ' A' ' 133' ' ' VAL . 29.1 mt -112.07 94.39 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.416 ' CE ' ' HA ' ' A' ' 125' ' ' MET . 7.0 mmt -56.76 133.33 54.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.47 -166.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.509 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 29.8 p -82.43 -42.55 18.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.95 45.99 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 172.0 -167.13 40.1 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.42 HG11 ' NE2' ' A' ' 132' ' ' HIS . 0.9 OUTLIER -136.45 170.21 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.477 ' CG2' HG23 ' A' ' 11' ' ' VAL . 15.4 t -148.69 144.2 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 79.3 m-70 -131.44 99.3 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.641 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.561 HG13 ' CZ ' ' A' ' 21' ' ' PHE . 62.0 t -60.43 123.76 13.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.453 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.3 pt -100.76 170.55 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 70.0 p -115.83 24.25 11.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.372 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.38 148.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.44 121.84 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.546 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 20.7 mt -72.29 162.09 29.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -143.88 148.58 42.95 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.02 172.59 16.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.74 100.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.03 -161.31 14.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -174.41 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.96 167.68 20.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 m -81.65 143.26 32.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.56 117.3 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.31 -58.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.76 82.17 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.11 164.89 36.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m -99.23 77.41 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.44 147.16 40.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.42 128.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.476 ' O ' ' CG2' ' A' ' 127' ' ' THR . . . -97.98 -135.59 8.82 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.565 1.165 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.456 ' CG2' ' C ' ' A' ' 9' ' ' GLY . 0.7 OUTLIER -151.6 -166.15 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.39 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.564 ' CG2' ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -47.3 -51.48 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.1 mmm -60.69 -63.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -47.28 -45.59 24.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 t -45.62 -31.81 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt -81.31 -38.56 26.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' ASP . 1.4 mtpt -62.51 -46.28 89.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.06 -47.5 60.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -80.74 132.21 35.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 0.767 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.94 -35.28 57.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.1 -39.56 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.561 ' CZ ' HG22 ' A' ' 133' ' ' VAL . 6.9 m-85 -110.5 57.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -68.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.2 mtp -40.47 -38.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 12.4 tp -58.43 -58.55 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' ILE . 22.4 t -42.68 -57.86 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.66 -44.69 4.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.432 ' HB3' ' CD2' ' A' ' 71' ' ' LEU . . . -56.42 -44.76 80.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.485 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 7.1 mt -66.31 -50.94 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -50.54 -48.34 57.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -32.0 65.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.78 -29.26 65.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 76.56 39.65 29.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mt -106.6 -19.26 13.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' ASN . 49.7 m -44.58 -57.15 3.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -48.11 62.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -26.27 64.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 43' ' ' TYR . 9.4 mt -102.34 -1.29 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -107.11 22.15 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -121.24 141.25 51.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -46.54 129.45 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.03 -140.86 7.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.482 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -148.57 137.99 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.356 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.457 ' HB3' ' CD2' ' A' ' 37' ' ' LEU . 91.7 m-85 -156.19 116.13 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.9 m -90.43 110.97 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.7 t -115.57 157.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 91.9 m-85 -126.35 115.61 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.459 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.46 116.58 57.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.556 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.99 -177.28 3.36 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 p -93.15 172.25 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -61.83 -46.28 90.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.55 -22.84 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -64.15 -57.0 10.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 71.2 m-85 -64.06 -42.37 97.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -55.42 -20.67 12.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.17 -42.88 22.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mt -44.31 140.85 2.82 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -74.97 173.57 14.27 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -8.43 20.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -91.28 -45.89 8.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.168 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.21 -17.33 59.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -70.55 -75.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 66' ' ' GLY . 32.9 t -55.92 -24.76 39.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 1.4 mmm180 -59.35 -44.5 92.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.8 mt -96.01 -47.04 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.4 mt -60.73 -25.31 66.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -90.22 -76.93 1.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 129.06 38.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.51 -36.53 24.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.9 -56.18 17.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -62.86 -41.66 99.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -46.53 -69.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -47.01 -51.89 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' ALA . 5.0 t-20 -39.88 -46.73 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.9 mm -67.91 -52.2 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 6.3 mt -51.27 -54.73 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -44.85 -52.37 8.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.483 ' CZ ' HD22 ' A' ' 103' ' ' LEU . 79.6 t80 -63.24 -25.49 68.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.6 m80 -80.82 -20.91 41.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.565 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.9 mt -101.59 148.9 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.02 -175.49 18.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -120.82 33.27 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -179.96 161.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.482 HG12 ' CG1' ' A' ' 42' ' ' VAL . 5.2 mm -92.17 121.51 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tt -123.49 121.63 36.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.471 ' CG1' HG22 ' A' ' 130' ' ' VAL . 18.2 m -134.18 154.84 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.4 p -71.71 65.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -103.11 -41.06 2.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.72 80.73 0.18 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.1 mm -104.7 103.68 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.29 -33.71 85.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -171.78 -68.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.248 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.431 ' CD1' ' N ' ' A' ' 93' ' ' VAL . 1.9 tm? -140.57 151.98 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.431 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 43.1 t -137.03 145.45 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -108.15 106.13 16.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.428 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -90.58 115.38 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.41 ' HG3' ' CG ' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -68.84 126.12 28.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 p -91.81 178.07 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.2 mt -85.94 -22.34 27.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 99' ' ' GLN . 14.8 tp60 -79.93 1.24 28.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 99.35 -46.04 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.38 144.68 56.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.41 ' CG ' ' HG3' ' A' ' 96' ' ' LYS . 1.3 mptt -99.29 125.77 44.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.483 HD22 ' CZ ' ' A' ' 77' ' ' TYR . 16.8 mt -76.81 155.97 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -109.55 132.39 54.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.55 129.59 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.84 166.06 25.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.044 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.8 tp -121.12 111.41 17.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -135.68 137.54 41.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 90.2 m-20 60.5 18.72 8.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 3.9 t-20 76.22 11.58 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.81 139.93 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.3 t -96.58 143.76 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.58 153.0 51.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.67 104.45 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 74.21 35.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt 70.05 25.53 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -117.31 140.84 27.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.86 15.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 120' ' ' ALA . 93.8 t -91.2 158.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.422 ' N ' HG13 ' A' ' 119' ' ' VAL . . . -89.46 -77.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -131.64 86.04 50.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.85 5.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 t0 69.41 60.21 0.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.45 ' CD1' HG13 ' A' ' 131' ' ' VAL . 19.5 mt -110.41 92.7 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.86 130.49 43.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 129' ' ' GLY . . . -114.06 171.55 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 9' ' ' GLY . 58.6 p -71.59 -14.34 62.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.31 49.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 126' ' ' ALA . . . 155.32 -173.04 33.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' A' ' 83' ' ' ILE . 4.5 p -131.48 170.21 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.564 ' CG2' ' CG2' ' A' ' 11' ' ' VAL . 26.1 t -148.48 153.6 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.587 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 53.5 m-70 -141.05 98.41 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.561 HG22 ' CZ ' ' A' ' 21' ' ' PHE . 88.2 t -58.84 120.56 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.476 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.2 pt -99.18 171.49 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.2 p -119.86 22.43 11.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -169.33 147.64 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 67.2 t -75.74 114.41 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 17.0 mt -68.11 157.89 34.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -142.91 148.17 44.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.98 167.39 27.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.4 p -66.48 134.91 53.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 155.89 177.28 28.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.137 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 107.0 2.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 57.9 p -132.1 90.42 2.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.3 t 58.53 164.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.82 103.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 0.725 . . . . 0.0 109.982 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -176.51 151.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.09 136.46 3.35 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.5 OUTLIER -97.5 91.43 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.977 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER 79.61 -68.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.051 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.59 -64.44 3.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.18 127.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.22 97.15 0.38 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.43 1.081 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' VAL . 3.7 p -59.79 157.65 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -38.85 -53.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 8.3 mmm -57.9 -45.73 86.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -57.99 -41.54 83.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.6 -28.99 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.34 -35.5 30.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -69.36 -46.14 67.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.6 -49.91 59.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.18 125.82 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.364 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -73.81 -33.62 64.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -48.81 -39.61 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.463 ' CZ ' HG12 ' A' ' 133' ' ' VAL . 9.9 m-85 -107.91 54.74 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.7 p -87.89 -61.41 1.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.953 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.56 -27.79 0.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.5 tp -67.56 -57.92 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.4 t -42.87 -52.26 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.16 -47.73 6.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.453 ' HB1' ' CD2' ' A' ' 71' ' ' LEU . . . -59.2 -46.58 88.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.477 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 70.3 mt -63.43 -52.8 53.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.87 -43.42 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -43.87 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.13 72.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.43 40.14 7.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 mt -106.99 -16.98 14.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -48.23 -36.82 14.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -55.89 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -55.14 -21.55 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 mt -103.58 8.06 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.83 18.62 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -115.45 148.77 39.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.47 114.98 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.07 -137.78 4.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.8 m -148.18 135.78 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -156.14 117.09 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 m -92.13 105.02 17.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.87 157.4 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 72.8 m-85 -126.81 112.86 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.506 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.87 116.37 59.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.97 -170.8 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.531 1.806 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 p -94.28 -177.94 4.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -69.83 -48.54 58.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.92 -26.74 64.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -57.93 -59.91 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 50.0 m-85 -60.61 -39.04 86.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -61.27 -22.32 64.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.34 -39.48 65.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 mt -45.89 146.16 2.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -2.46 12.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.5 -61.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.09 -42.21 63.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -55.91 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -49.24 -22.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -69.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -56.18 -54.51 44.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.73 -20.96 62.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.07 -88.8 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.79 138.62 58.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.246 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.01 -44.35 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.76 -62.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.23 -33.09 67.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.453 ' CD2' ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -61.51 -70.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.18 -36.47 19.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -50.71 -54.44 23.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.9 mm -61.24 -52.62 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 7.1 mt -50.57 -45.82 57.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -54.52 -50.75 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.427 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 81.2 t80 -70.68 -4.39 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.2 m80 -101.12 -19.77 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.586 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CD1' ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.82 146.51 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.417 ' N ' HG21 ' A' ' 79' ' ' ILE . . . -114.81 154.01 17.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.047 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.493 ' CG ' ' CD1' ' A' ' 98' ' ' LEU . 5.7 m-20 -94.19 41.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 172.96 160.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.4 mm -89.41 136.53 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.471 HD13 ' CG1' ' A' ' 93' ' ' VAL . 5.4 tt -139.35 119.76 13.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.46 ' CG1' HG21 ' A' ' 130' ' ' VAL . 15.9 m -137.75 157.01 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.5 p -75.17 57.19 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.935 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -107.03 54.8 0.55 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.71 63.43 0.89 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 24.1 mm -71.05 -118.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.88 -52.86 0.2 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -163.23 -56.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 0.805 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.436 HD13 ' N ' ' A' ' 93' ' ' VAL . 1.7 tm? -148.56 147.0 28.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.471 ' CG1' HD13 ' A' ' 84' ' ' LEU . 90.8 t -133.43 120.37 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -92.96 117.76 30.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 tt -103.84 116.99 33.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.07 110.65 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 154.11 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.493 ' CD1' ' CG ' ' A' ' 81' ' ' ASP . 5.2 mp -63.2 -32.0 73.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.427 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -56.28 -33.57 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.21 -47.03 1.04 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.53 127.96 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 134.16 44.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.4 136.73 32.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.53 130.0 39.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.48 124.04 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 p -134.32 174.12 10.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.0 tp -128.05 112.14 14.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -137.79 139.75 40.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 10.7 t-20 58.03 17.57 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER 75.92 19.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 t -114.16 148.53 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.32 140.63 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.1 153.47 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.1 p -135.72 116.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 64.15 26.71 13.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.32 35.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -126.53 142.73 43.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.09 19.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.475 HG13 ' CG ' ' A' ' 122' ' ' PRO . 59.7 t -93.77 146.85 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.437 ' N ' HG11 ' A' ' 119' ' ' VAL . . . -78.39 -65.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -146.86 89.16 5.75 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.475 ' CG ' HG13 ' A' ' 119' ' ' VAL . 18.2 Cg_endo -74.98 -177.5 3.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.41 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 9.3 m-20 63.91 65.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.449 ' CD1' HG12 ' A' ' 131' ' ' VAL . 13.1 mt -116.76 93.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.55 125.19 24.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -105.8 -170.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 127' ' ' THR . 0.4 OUTLIER -94.74 10.65 34.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 176.03 49.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 149.73 -157.17 27.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.46 HG21 ' CG1' ' A' ' 85' ' ' VAL . 9.9 p -142.23 170.1 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.449 HG12 ' CD1' ' A' ' 124' ' ' ILE . 29.3 t -148.83 150.77 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.606 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 84.7 m-70 -139.11 96.86 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.463 HG12 ' CZ ' ' A' ' 21' ' ' PHE . 67.7 t -56.99 127.74 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.444 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.2 pt -105.75 170.58 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.7 p -115.23 23.9 12.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -178.1 142.85 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.59 124.96 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 21.3 mt -73.62 162.49 29.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -141.23 153.99 67.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -178.94 4.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.0 t -41.69 124.79 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 157.39 164.03 13.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.85 5.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.0 p -177.12 128.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.5 t -50.29 -58.41 5.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -94.93 102.29 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.78 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -90.82 -58.36 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.5 118.54 0.44 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -176.84 147.25 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -79.27 -55.99 4.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.99 176.2 50.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttm -129.71 -160.1 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.764 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.482 ' O ' ' CG2' ' A' ' 127' ' ' THR . . . -178.86 -127.86 1.13 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 80.5 p -150.92 176.88 10.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.363 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.523 ' CG2' ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -40.69 -51.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.472 ' HG2' ' CD1' ' A' ' 37' ' ' LEU . 1.9 mmm -61.33 -62.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.8 t0 -46.99 -44.17 19.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 11' ' ' VAL . 2.8 t -47.34 -36.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -74.63 -34.24 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' ASP . 3.8 mtpt -64.37 -36.67 84.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.31 -55.7 28.67 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.58 133.25 46.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -77.86 -35.34 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -45.27 -42.95 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.529 ' CZ ' HG11 ' A' ' 133' ' ' VAL . 3.0 m-85 -103.72 49.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.1 m -80.97 -67.49 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.2 mtp -40.55 -37.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.497 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 8.3 tp -60.37 -52.31 65.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.43 HG23 ' CG ' ' A' ' 16' ' ' LYS . 8.0 t -46.77 -59.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -40.09 -43.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.48 -60.7 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.47 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 3.2 mt -49.44 -55.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -46.55 52.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -47.25 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.14 -33.23 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.63 36.99 9.87 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 mt -100.31 -22.47 15.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.8 m -44.8 -57.19 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -43.24 -58.17 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -49.13 -54.47 16.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' CD1' ' HG2' ' A' ' 12' ' ' MET . 5.4 mt -69.57 -9.1 52.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.9 t-20 -81.76 -23.44 36.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -87.39 146.27 25.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.77 151.29 14.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.25 -135.08 5.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.412 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.4 m -154.53 130.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -156.31 117.39 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 m -88.83 107.11 18.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 t -109.65 157.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.596 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 94.3 m-85 -127.71 113.7 16.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.497 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.59 116.56 58.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.554 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.1 Cg_endo -75.0 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 p -86.57 -171.9 3.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.66 -44.65 27.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.31 -25.61 68.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -55.02 -64.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.554 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 51.5 m-85 -54.49 -50.39 67.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -23.9 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.36 -32.8 70.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -57.14 149.52 45.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.85 13.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.26 -61.4 1.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.16 -44.39 64.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' C ' ' N ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -54.93 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -43.97 -27.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -69.53 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.26 -50.01 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -64.09 -16.56 62.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.47 -88.61 1.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.29 136.85 58.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -82.85 -47.12 12.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -61.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -28.87 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.9 OUTLIER -62.32 -66.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.13 -41.16 62.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.41 -48.54 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.468 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 31.0 mm -67.69 -56.91 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 5.7 mt -45.55 -50.4 13.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -49.28 -52.74 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -64.63 -19.05 65.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -86.47 -20.7 27.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 80' ' ' GLY . 3.4 mt -102.09 143.66 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.419 ' N ' HG21 ' A' ' 79' ' ' ILE . . . -112.43 170.76 13.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -112.64 48.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 170.94 156.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.412 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.8 mm -92.05 108.13 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.449 HD12 ' CG1' ' A' ' 93' ' ' VAL . 6.8 tt -120.31 121.99 39.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.223 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.479 ' CG1' HG21 ' A' ' 130' ' ' VAL . 25.6 m -136.71 171.27 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 p -72.42 59.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.4 70.49 0.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.24 50.17 0.73 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 90' ' ' GLY . 9.5 mm -74.2 -112.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 0.802 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.413 ' N ' ' CG2' ' A' ' 89' ' ' ILE . . . 134.71 59.53 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 75.98 -70.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' A' ' 93' ' ' VAL . 1.8 tm? -147.98 151.6 36.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 84' ' ' LEU . 17.7 t -141.38 147.89 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.83 106.41 16.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.435 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -88.66 115.84 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -69.3 122.87 19.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.0 t -98.87 -178.53 3.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 mt -88.73 -45.92 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -48.84 -30.49 5.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.01 -46.23 1.09 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.39 132.28 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.62 133.58 35.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 95' ' ' LEU . 8.3 mt -85.01 134.14 34.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.29 130.22 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.31 125.41 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 p -135.47 178.07 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 45.2 tp -135.08 106.51 6.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -129.55 138.27 51.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 15.9 t30 59.98 18.33 7.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 19.3 t30 76.8 14.6 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t -109.83 150.52 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.2 t -104.17 145.82 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.89 150.76 43.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.4 p -136.71 105.8 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 73.97 32.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 71.89 29.04 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -120.67 140.03 29.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.1 18.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 120' ' ' ALA . 98.8 t -94.08 158.2 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -87.29 -79.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.75 85.96 59.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.334 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 123' ' ' ASP . 18.4 Cg_endo -74.96 172.95 15.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 8.7 t0 75.92 56.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.434 ' CD1' HG11 ' A' ' 131' ' ' VAL . 14.5 mt -109.84 92.66 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.92 131.22 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -109.31 -176.57 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 9' ' ' GLY . 3.9 p -79.85 -10.4 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -164.82 51.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.47 -167.8 30.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.479 HG21 ' CG1' ' A' ' 85' ' ' VAL . 1.8 p -133.55 170.4 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.523 ' CG2' ' CG2' ' A' ' 11' ' ' VAL . 30.2 t -147.51 156.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.596 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 81.3 m-70 -143.95 99.03 3.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.417 1.073 . . . . 0.0 109.614 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.529 HG11 ' CZ ' ' A' ' 21' ' ' PHE . 90.6 t -59.82 122.0 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.455 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.3 pt -100.48 171.08 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 40.7 p -119.09 21.98 12.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -172.43 138.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.68 121.6 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 16.8 mt -72.26 164.81 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -141.77 157.66 64.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.468 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 152.72 41.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.793 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -53.91 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 78.83 175.15 45.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -46.33 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 18.6 m -109.62 128.75 55.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.1 p -169.78 96.91 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -162.26 168.11 22.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 0.795 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -162.74 158.75 23.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.74 -179.33 20.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -129.03 106.51 8.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -166.15 165.84 17.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.7 -171.93 0.76 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtt -148.22 -164.7 2.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.89 94.24 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' VAL . 2.9 p -43.1 155.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 131' ' ' VAL . 0.1 OUTLIER -36.61 -53.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.423 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 7.7 mmm -58.87 -51.86 68.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -45.11 67.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.0 -25.63 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.94 -35.32 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -70.92 -36.06 72.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.55 -43.13 98.5 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.05 129.96 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -73.71 -29.78 62.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.46 -41.83 53.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CZ ' HG22 ' A' ' 133' ' ' VAL . 7.9 m-85 -104.17 51.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 p -82.24 -66.23 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 78.5 mtp -40.44 -42.73 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 12.1 tp -56.43 -57.88 10.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.7 t -41.01 -56.11 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.98 -49.78 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.364 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.73 -51.14 41.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.477 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 68.3 mt -64.11 -62.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.71 -41.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -44.14 51.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . -61.67 -30.36 70.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.67 31.64 29.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -93.57 -20.99 19.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASN . 17.4 m -43.69 -62.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.3 -61.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 m -45.43 -60.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.75 -13.87 37.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.1 m-20 -91.54 21.24 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -127.91 143.38 51.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -55.48 139.08 44.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.51 -139.0 6.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 83' ' ' ILE . 3.7 m -143.41 130.23 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -156.44 116.11 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.3 m -93.96 100.83 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 t -102.82 156.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.605 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 81.0 m-85 -129.23 110.76 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.541 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -104.01 116.68 61.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.479 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.0 -163.18 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -101.04 -163.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -82.88 -50.65 8.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.35 -11.46 42.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -68.91 -48.07 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 31.1 m-85 -68.3 -45.31 73.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -51.01 -25.18 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.76 85.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.1 mt -53.64 150.0 14.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.4 Cg_endo -74.94 162.04 37.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.92 7.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.496 ' O ' ' CD ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -97.91 -33.69 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.8 -29.62 14.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -50.41 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.8 t -55.36 -45.34 76.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -44.29 -63.95 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.04 -50.31 66.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.97 -14.92 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -96.0 -87.83 1.78 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.68 128.64 37.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -81.77 -44.99 16.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.18 -57.98 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.65 -27.56 69.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ALA . 1.1 tt -67.03 -70.0 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.26 -35.22 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -55.27 -51.13 67.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 20.6 mm -63.48 -45.75 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 18.2 mt -58.58 -42.58 88.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -52.61 -49.71 64.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 103' ' ' LEU . 86.8 t80 -66.09 -17.2 64.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 13.8 m80 -89.9 -24.28 21.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.609 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 80' ' ' GLY . 3.7 mt -101.52 144.06 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -112.22 174.79 16.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -111.37 38.88 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 173.45 157.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 42' ' ' VAL . 10.1 mm -89.58 130.52 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.51 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 3.0 tt -136.63 119.71 16.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 87' ' ' GLY . 19.6 m -136.42 152.78 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -68.57 65.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.957 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -121.0 53.17 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.81 57.11 0.58 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.433 HG22 ' CG2' ' A' ' 93' ' ' VAL . 19.2 mm -76.34 -120.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.85 -49.3 0.21 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -166.33 -54.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 0.763 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.42 HD11 ' N ' ' A' ' 93' ' ' VAL . 2.0 tm? -148.37 149.67 32.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.485 ' CG1' ' CD1' ' A' ' 84' ' ' LEU . 99.5 t -136.32 120.88 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -88.49 117.59 27.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.53 124.94 50.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 128.28 33.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -99.45 178.85 4.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.0 mt -86.85 -33.21 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -18.85 57.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.337 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 113.83 -37.42 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.24 141.36 43.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.93 123.79 35.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 77' ' ' TYR . 3.0 mt -78.32 141.63 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -97.08 132.43 42.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 93' ' ' VAL . 3.0 t -139.04 122.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -133.24 167.93 19.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.3 tp -123.6 111.76 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -135.28 138.31 43.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 4.6 m120 58.94 18.72 6.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.4 t-20 75.81 16.47 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.5 t -111.18 141.47 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.8 t -97.97 141.43 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.44 154.86 51.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 5.2 p -137.38 104.12 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 5.9 m-20 76.95 33.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.1 mttp 71.34 24.97 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -116.87 140.87 27.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 133.1 16.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 120' ' ' ALA . 71.0 t -87.8 156.26 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.424 ' N ' HG13 ' A' ' 119' ' ' VAL . . . -86.99 -73.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.79 86.84 17.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.153 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 t70 74.13 55.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.439 ' CD1' HG13 ' A' ' 131' ' ' VAL . 11.1 mt -110.85 92.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -73.02 137.61 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.4 -166.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 10' ' ' THR . 9.7 p -85.99 -2.85 58.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -178.89 44.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.239 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 166.82 -170.72 41.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.1 p -135.93 169.97 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 11' ' ' VAL . 20.5 t -148.85 151.09 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.605 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 86.5 m-70 -138.28 96.78 3.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.625 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.504 HG22 ' CZ ' ' A' ' 21' ' ' PHE . 86.5 t -56.75 124.55 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.471 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.1 pt -101.98 170.75 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 35.4 p -119.79 36.57 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.462 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 172.82 150.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 71.9 t -75.96 120.54 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 15.7 mt -73.53 160.53 31.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -137.11 150.32 68.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.01 123.03 7.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.445 1.76 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.47 113.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -80.78 157.05 39.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 94.75 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.4 94.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.77 112.46 5.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.037 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -134.18 -58.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.4 p -134.45 150.2 50.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.45 -144.67 4.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.77 82.01 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 0.775 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.04 -51.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.14 155.84 50.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt 62.4 126.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.3 102.66 0.62 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 11' ' ' VAL . 18.0 p -72.46 168.93 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -37.64 -56.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.439 ' CG ' HD13 ' A' ' 37' ' ' LEU . 10.5 mmm -49.22 -51.99 29.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -55.48 -50.7 69.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -45.25 -26.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -84.81 -41.52 16.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HG2' ' CG1' ' A' ' 25' ' ' VAL . 14.9 mttt -58.79 -50.03 75.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.33 -45.31 65.42 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.12 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.65 128.21 34.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -74.39 -45.93 43.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -39.76 -40.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.526 ' CZ ' HG23 ' A' ' 133' ' ' VAL . 1.7 m-85 -108.42 54.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.79 -61.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -22.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 10.6 tp -70.4 -58.14 4.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 16' ' ' LYS . 86.8 t -43.18 -51.23 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.1 -42.86 9.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' LEU . . . -59.92 -54.8 41.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 3.9 mt -53.47 -54.65 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -56.47 9.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -44.42 95.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.08 71.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.73 38.31 8.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.47 -26.96 12.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 38' ' ' ASN . 16.5 m -40.56 -50.97 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.7 mm-40 -49.25 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -47.41 -53.94 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' A' ' 12' ' ' MET . 23.6 mt -65.54 -15.83 63.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.9 m-20 -90.57 18.12 6.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -122.33 140.95 52.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.39 140.4 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.56 -134.68 4.48 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG1' HG12 ' A' ' 83' ' ' ILE . 7.3 m -151.5 130.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -156.02 116.86 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 80' ' ' GLY . 17.8 m -92.04 109.81 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.6 t -112.24 157.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 92.1 m-85 -127.86 113.79 16.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.485 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.64 116.88 59.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.465 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -75.05 177.47 8.56 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.0 p -81.2 -176.45 5.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -73.65 -49.24 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -14.79 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.42 -54.75 17.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 67.0 m-85 -64.57 -46.15 84.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -51.69 -25.09 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.82 -45.99 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 13.8 mt -44.12 138.22 3.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -75.01 174.75 12.26 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -13.17 21.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.94 -39.89 15.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.3 -16.94 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG2' ' CD1' ' A' ' 65' ' ' LEU . 3.8 mtp180 -67.6 -77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.1 t -54.09 -21.92 9.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -46.41 85.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.3 mt -97.26 -46.74 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 25.7 mt -60.16 -28.7 68.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -87.59 -81.71 1.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.69 126.69 28.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.71 -47.56 30.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -40.77 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.21 -33.41 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -70.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.59 -37.09 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -52.24 -48.06 65.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.462 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 25.8 mm -67.79 -51.25 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 8.9 mt -52.07 -45.05 64.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -53.28 -53.94 43.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -66.7 -8.41 27.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.9 m80 -96.8 -20.34 18.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.609 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.416 ' CD1' ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.43 145.69 11.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -113.14 162.06 12.48 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -104.44 44.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 171.5 159.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.471 HG12 ' CG1' ' A' ' 42' ' ' VAL . 3.3 mm -89.74 131.98 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.446 HD21 ' CD1' ' A' ' 89' ' ' ILE . 4.4 tt -134.31 119.64 18.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -127.38 153.83 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.44 ' HA ' ' CG1' ' A' ' 89' ' ' ILE . 1.1 t -63.83 -14.45 53.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.83 47.72 3.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.575 1.172 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 157.98 45.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.446 ' CD1' HD21 ' A' ' 84' ' ' LEU . 9.1 mm -83.48 -113.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.406 ' N ' ' CG2' ' A' ' 89' ' ' ILE . . . 129.7 62.04 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 75.53 -71.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -148.08 150.77 34.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.419 ' N ' ' HG ' ' A' ' 92' ' ' LEU . 4.5 t -141.49 149.61 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.1 mtm-85 -114.89 107.36 15.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.4 HD21 ' N ' ' A' ' 96' ' ' LYS . 2.0 tt -88.49 120.6 30.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HG3' ' CG ' ' A' ' 102' ' ' LYS . 1.0 OUTLIER -78.76 109.65 13.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 t -84.59 155.71 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 98' ' ' LEU . 5.1 mp -62.44 -39.42 93.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -35.91 26.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.84 -46.61 1.07 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.03 130.0 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' CG ' ' HG3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -75.3 133.75 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.34 134.61 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.74 130.1 36.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -142.96 125.02 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 p -140.7 167.94 20.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.1 tp -121.41 112.88 19.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -136.61 136.67 39.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.0 m120 59.39 19.22 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 3.3 t30 75.01 17.3 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.21 139.53 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 71.4 t -100.01 146.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.82 154.95 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 117' ' ' GLU . 4.4 p -136.59 130.72 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 52.8 24.48 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.48 41.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 114' ' ' VAL . 2.5 mt-10 -133.52 146.81 62.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.09 19.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 120' ' ' ALA . 73.1 t -94.54 151.13 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -82.6 -68.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -144.58 87.67 7.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.429 ' CG ' HG11 ' A' ' 119' ' ' VAL . 18.5 Cg_endo -74.97 179.5 6.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.6 t0 74.11 58.94 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.348 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.1 mt -116.36 93.05 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.93 130.46 39.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.414 ' HB3' ' N ' ' A' ' 11' ' ' VAL . . . -104.18 -166.57 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.437 HG21 ' CG2' ' A' ' 10' ' ' THR . 0.4 OUTLIER -87.11 -1.99 58.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -174.62 45.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 161.22 -163.62 34.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.18 170.26 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 19.6 t -148.35 153.46 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 81.6 m-70 -141.16 101.82 4.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.526 HG23 ' CZ ' ' A' ' 21' ' ' PHE . 93.9 t -59.99 127.51 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.458 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.2 pt -106.08 170.89 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.9 p -118.16 36.03 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.44 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 174.67 154.17 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 88.5 t -82.02 109.58 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 19.2 mt -60.3 161.58 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -140.07 155.75 70.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.462 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 177.63 8.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -61.72 1.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 70.17 -166.95 49.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.06 34.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.39 146.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.8 t 64.77 82.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -168.02 109.56 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 m -161.73 105.86 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.86 -165.09 10.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m 64.83 168.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 0.801 . . . . 0.0 109.967 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -96.59 78.6 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.41 169.05 5.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.164 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 mtt -164.12 122.93 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 0.751 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' CA ' ' HB3' ' A' ' 13' ' ' ASP . . . -136.41 112.06 0.92 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.514 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 26.1 p -65.32 173.63 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.429 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.451 ' CG2' ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -36.96 -55.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.5 mmm -54.93 -62.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 16' ' ' LYS . 33.4 t0 -47.27 -50.1 22.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.86 -30.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.66 -42.67 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HG2' ' CG1' ' A' ' 25' ' ' VAL . 14.4 mttt -58.13 -48.27 80.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.55 -52.09 47.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.16 125.52 28.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.95 -43.02 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.71 -37.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.404 ' CZ ' HG13 ' A' ' 133' ' ' VAL . 2.0 m-85 -113.98 55.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 23' ' ' MET . 4.6 p -89.0 -62.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.45 ' N ' ' OG ' ' A' ' 22' ' ' SER . 78.8 mtp -47.55 -25.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 7.9 tp -68.44 -54.24 18.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG1' ' HG2' ' A' ' 16' ' ' LYS . 70.7 t -44.69 -58.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.72 -44.13 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.23 -48.7 78.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.47 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 4.8 mt -61.83 -64.86 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.08 -52.33 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -46.99 87.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.54 -33.16 72.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.74 41.31 7.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mt -103.96 -21.63 13.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' ASN . 5.0 m -40.48 -65.39 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.47 -59.65 0.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -45.94 -60.9 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.51 -11.96 39.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.2 OUTLIER -91.28 21.21 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -129.41 139.09 51.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.3 148.08 12.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.61 -130.53 3.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 83' ' ' ILE . 5.5 m -148.19 130.22 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -156.46 115.65 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 m -93.71 102.73 14.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.4 t -107.81 151.63 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 89.6 m-85 -124.42 114.01 18.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.465 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.35 117.1 58.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.488 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.09 -175.52 2.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.0 p -76.85 -169.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.342 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -82.97 -47.37 11.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.19 -15.41 62.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -57.28 -33.0 67.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -81.03 -44.27 18.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -53.93 -24.61 16.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.44 -38.5 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.9 mt -51.65 140.45 27.53 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.4 31.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.45 8.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.802 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.52 -40.95 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.61 -46.94 6.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -60.21 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.3 t -51.18 -63.75 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -37.38 -59.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.247 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mt -44.46 -59.63 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.31 -25.74 67.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -78.35 -92.54 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.79 136.5 58.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.64 -46.28 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -59.21 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.48 -36.63 74.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.0 -70.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.19 -34.15 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -54.44 -48.98 71.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.1 mm -66.58 -49.26 76.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 12.9 mt -54.24 -50.9 66.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -45.7 -51.22 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.606 ' CZ ' ' CD2' ' A' ' 103' ' ' LEU . 88.3 t80 -64.34 -24.06 67.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 11.1 m80 -81.8 -21.69 37.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.2 mt -101.3 142.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.59 170.05 13.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -106.35 41.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 173.04 158.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.476 HG12 ' CG1' ' A' ' 42' ' ' VAL . 16.6 mm -93.54 123.14 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.0 tt -130.14 119.69 23.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.6 m -131.15 165.86 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.8 p -73.56 63.04 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.0 68.21 0.41 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.28 50.69 0.3 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -106.87 104.18 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.98 -35.81 70.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.54 -59.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 109.241 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.42 149.14 33.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.8 t -136.87 151.13 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -108.92 106.75 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.479 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -94.9 115.29 27.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.406 ' N ' HD21 ' A' ' 95' ' ' LEU . 33.5 tttt -71.79 126.01 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 p -91.81 146.59 23.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.1 -31.25 63.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -62.93 -27.3 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.71 -47.15 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.34 141.01 57.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 126.17 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.606 ' CD2' ' CZ ' ' A' ' 77' ' ' TYR . 16.8 mt -81.81 152.77 26.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -106.16 130.15 54.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -141.54 128.17 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 p -140.75 171.99 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.1 tp -128.51 106.08 8.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.25 141.84 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 33.0 t30 56.07 19.07 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 12.3 t30 75.72 14.31 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.3 t -107.13 150.15 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.9 t -111.83 135.88 49.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.24 148.23 52.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.88 105.91 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.4 ' ND2' HD11 ' A' ' 138' ' ' LEU . 9.3 m-20 73.88 29.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.83 27.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -120.06 143.85 36.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 133.08 16.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.462 HG11 ' CG ' ' A' ' 122' ' ' PRO . 79.2 t -89.51 151.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -79.42 -67.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -148.46 86.71 5.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.462 ' CG ' HG11 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.95 175.64 10.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 3.3 t70 77.69 59.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.454 ' CD1' HG11 ' A' ' 131' ' ' VAL . 12.3 mt -115.53 92.22 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.6 mmm -65.43 141.6 58.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 129' ' ' GLY . . . -122.84 175.01 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.514 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 34.1 p -59.59 -29.75 68.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.65 43.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 126' ' ' ALA . . . 176.96 -172.57 45.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -135.13 169.75 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 124' ' ' ILE . 20.2 t -149.09 147.86 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 75.5 m-70 -135.66 97.98 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.554 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 120' ' ' ALA . 61.4 t -57.18 126.04 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.454 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.7 pt -101.74 166.95 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.8 p -83.76 -29.11 27.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -149.75 170.61 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 41.2 t -73.05 130.9 35.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 23.2 mt -74.41 172.16 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -144.84 147.81 36.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 126.74 10.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.78 105.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -136.49 -164.87 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 161.75 38.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.75 150.72 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.6 t -68.23 -58.61 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.953 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -157.09 141.44 16.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 110.035 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 p -134.48 152.98 52.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.04 178.79 5.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m 57.44 105.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.783 . . . . 0.0 109.999 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -82.43 -60.0 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.35 -173.5 13.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.513 ' CG ' ' N ' ' A' ' 9' ' ' GLY . 1.6 ptt? -152.93 -156.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.513 ' N ' ' CG ' ' A' ' 8' ' ' MET . . . 165.64 93.78 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.457 ' CG2' HG22 ' A' ' 127' ' ' THR . 5.8 p -65.59 159.06 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 110.418 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -38.8 -56.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.409 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 19.2 mmm -52.89 -47.07 68.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.92 -45.66 89.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.96 -27.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -84.11 -43.47 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -61.33 -42.21 98.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.62 -47.96 88.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -75.03 128.33 35.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -76.32 -36.29 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.8 -33.31 7.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.542 ' CZ ' HG21 ' A' ' 133' ' ' VAL . 5.3 m-85 -115.24 56.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 p -88.76 -66.39 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -33.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.4 tp -60.54 -60.42 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.9 t -41.0 -53.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.74 -51.74 5.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB1' ' CD2' ' A' ' 71' ' ' LEU . . . -52.58 -44.8 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.464 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 26.0 mt -68.38 -50.91 52.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -40.66 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -43.08 27.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.86 72.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.69 44.37 7.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mt -108.45 -19.83 13.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' ASN . 18.4 m -47.75 -54.72 11.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -57.71 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -49.41 -53.8 20.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 13.2 mt -68.51 -12.24 60.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -93.91 24.83 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -124.41 140.75 52.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -55.67 114.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.93 -138.68 4.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.7 m -148.76 131.8 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -155.97 117.53 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 80' ' ' GLY . 7.5 m -89.61 110.83 21.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -113.39 157.83 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.356 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 87.9 m-85 -127.35 115.28 18.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.469 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.36 116.75 57.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.522 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.03 -174.9 2.11 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -95.08 -176.48 3.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.95 -42.17 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.63 -13.88 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -74.44 -62.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.522 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 57.7 m-85 -57.93 -39.78 78.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -25.8 64.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.21 -42.19 72.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 17.0 mt -48.0 140.23 9.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -75.03 173.92 13.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -6.54 18.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.7 -49.63 5.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -18.41 62.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.451 ' HG2' ' CD1' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -67.25 -73.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.3 t -55.34 -27.52 47.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -50.75 66.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.7 mt -90.2 -47.34 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.451 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 34.0 mt -60.18 -15.48 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -91.65 -93.32 1.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.19 132.14 52.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.92 -39.6 55.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -45.25 -56.91 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -40.39 95.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.452 ' CD2' ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -52.96 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.1 -41.82 27.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -48.57 -50.41 32.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.443 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.7 mm -63.43 -49.25 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 12.3 mt -53.77 -45.63 70.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -51.57 -54.35 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -64.57 -13.08 51.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -92.84 -21.4 19.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 80' ' ' GLY . 3.7 mt -101.92 145.9 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -112.82 178.64 18.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -118.79 43.6 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 0.728 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 174.22 159.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.474 HG12 ' CG1' ' A' ' 42' ' ' VAL . 5.5 mm -93.03 114.46 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 tt -119.66 120.18 35.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.4 m -128.54 154.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.5 p -75.22 65.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -118.38 -46.83 0.44 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.98 67.22 0.56 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -108.56 105.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.39 -30.32 76.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.45 -71.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.16 145.63 43.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.3 t -135.67 153.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -109.21 105.78 15.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.461 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.6 OUTLIER -89.2 115.33 26.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.411 ' N ' HD21 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -69.94 124.13 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.6 t -97.56 178.65 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.975 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.05 -48.52 9.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -44.75 -32.22 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.92 -46.67 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.91 137.22 57.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.37 134.35 36.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.9 mt -88.45 139.52 30.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -99.36 130.73 45.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 t -141.12 125.56 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 p -133.12 177.58 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.955 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.3 tp -145.19 107.96 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -134.44 144.97 48.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.423 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 92.4 m-20 56.64 19.32 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 0.7 OUTLIER 77.16 13.26 2.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 t -107.53 138.15 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.9 t -100.82 143.29 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.85 151.51 50.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 7.0 p -138.45 105.61 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 4.0 m-20 74.61 28.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 74.8 27.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.68 144.15 38.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.33 17.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.458 HG11 ' CG ' ' A' ' 122' ' ' PRO . 68.4 t -90.88 149.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.439 ' N ' HG12 ' A' ' 119' ' ' VAL . . . -81.33 -66.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -146.66 88.09 6.17 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.458 ' CG ' HG11 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -74.99 179.79 5.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.4 t0 71.69 48.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.424 HD11 ' CG2' ' A' ' 133' ' ' VAL . 20.7 mt -101.25 93.07 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.32 127.12 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.08 -170.33 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.457 HG22 ' CG2' ' A' ' 10' ' ' THR . 0.4 OUTLIER -93.72 3.82 54.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 9.8 p-10 -173.57 51.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.96 -161.29 27.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 6.4 p -137.8 169.84 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 132' ' ' HIS . 40.6 t -146.82 157.78 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.581 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 70.5 m-70 -145.05 99.85 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.542 HG21 ' CZ ' ' A' ' 21' ' ' PHE . 94.3 t -58.31 131.78 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.475 HG13 ' CA ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -109.58 170.99 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 45.0 p -118.66 30.38 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 179.73 153.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 90.7 t -79.44 110.41 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 12.3 mt -62.87 163.85 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -142.46 154.38 63.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.443 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 140.09 25.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.52 157.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -45.54 161.52 0.13 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.23 105.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.949 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.32 131.44 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -117.65 114.34 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.9 168.68 20.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.89 81.24 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.73 169.46 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -42.46 129.48 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . 73.26 -86.6 0.59 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.539 ' O ' ' CG2' ' A' ' 127' ' ' THR . 3.3 ttp 165.22 115.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 38.07 91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.416 ' N ' ' HB2' ' A' ' 13' ' ' ASP . 18.9 p -66.85 166.9 12.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 110.429 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.448 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.4 OUTLIER -41.88 -52.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.412 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 7.7 mmm -63.86 -57.35 10.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' LYS . 45.6 m-20 -47.6 -47.17 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -43.54 -36.67 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -74.41 -41.75 60.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' ASP . 15.6 mttt -61.45 -44.15 97.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.22 -60.43 7.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -69.32 128.32 36.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.243 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' ARG . 5.5 m120 -72.82 -38.69 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' ASN . 5.8 mtp180 -38.09 -41.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CZ ' HG12 ' A' ' 133' ' ' VAL . 3.7 m-85 -111.42 48.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 p -85.12 -31.13 23.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -36.89 63.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.45 -51.87 68.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' ILE . 79.5 t -45.35 -52.5 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.67 -44.42 6.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.68 95.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.479 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 48.4 mt -65.1 -47.8 86.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.18 -47.33 81.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -43.93 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.81 -29.57 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.03 37.82 17.51 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mt -100.9 -25.86 13.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.805 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.5 m -46.92 -41.13 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.12 -53.93 52.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -53.28 -44.68 68.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.443 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 8.6 mt -77.73 -6.04 52.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -81.6 -33.78 31.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -80.85 138.8 36.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -47.13 162.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.54 -134.97 6.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -155.01 130.67 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 0.725 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -156.7 116.14 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 m -87.44 113.72 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.453 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 t -116.9 156.52 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 97.6 m-85 -129.29 115.11 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.48 116.92 58.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.519 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -74.95 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -81.29 176.7 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.77 -41.8 74.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.56 -13.35 60.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -70.31 -57.18 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 63.8 m-85 -63.1 -32.63 74.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -64.45 -27.87 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.09 -39.66 75.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 12.3 mt -48.49 139.72 10.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.97 167.53 26.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -1.84 11.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.31 -39.51 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 6.4 tt0 -93.1 -12.01 31.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -75.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 2.0 t -54.34 -20.01 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.061 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -55.35 35.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.2 mt -84.01 -45.63 12.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.47 -17.28 53.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -99.32 -81.14 1.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.73 136.79 58.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.3 -48.34 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -69.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -50.28 -33.37 19.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -70.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.2 -37.46 54.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' OD1' ' NE2' ' A' ' 99' ' ' GLN . 4.8 t-20 -50.56 -46.76 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.93 -53.82 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 6.6 mt -49.05 -48.72 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -51.35 -45.45 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -69.81 -18.91 63.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 14.1 m80 -89.18 -20.13 24.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.5 mt -101.77 144.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.93 174.53 15.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -110.41 39.1 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 172.42 164.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 83' ' ' ILE . 3.7 mm -89.69 138.49 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.449 HD23 ' CD1' ' A' ' 89' ' ' ILE . 4.0 tt -145.19 119.87 9.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.473 ' O ' ' CD1' ' A' ' 89' ' ' ILE . 22.0 m -137.88 -179.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.463 ' HB2' ' CD2' ' A' ' 107' ' ' LEU . 78.5 p -82.7 65.75 7.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.01 -79.54 0.22 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.24 51.07 0.96 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 85' ' ' VAL . 31.9 mm -67.28 -111.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.411 ' N ' ' CG2' ' A' ' 89' ' ' ILE . . . 124.73 65.26 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 73.23 -71.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -148.25 150.56 33.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.434 ' CG1' HD11 ' A' ' 84' ' ' LEU . 21.0 t -139.2 155.84 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -114.53 111.27 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.414 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -97.3 123.0 40.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.411 ' N ' HD21 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -72.8 132.86 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.8 t -103.69 149.46 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.02 -31.31 69.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.448 ' NE2' ' OD1' ' A' ' 73' ' ' ASN . 1.5 tt0 -65.1 -28.25 69.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 124.82 -45.86 1.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 97' ' ' SER . 2.4 m-20 -66.65 136.89 56.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 132.84 34.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.0 mt -89.04 142.77 27.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -97.18 130.18 44.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.44 124.81 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 p -136.01 170.84 15.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 86' ' ' SER . 46.0 tp -129.31 110.59 12.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -137.3 139.42 40.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 57.2 19.13 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 74.91 20.44 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 t -112.09 141.5 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.25 136.93 35.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.61 148.08 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.14 106.31 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 73.71 31.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.77 28.91 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -121.61 143.4 37.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.66 18.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.76 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 120' ' ' ALA . 71.5 t -90.09 153.26 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 133' ' ' VAL . . . -80.41 -71.63 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -142.95 86.58 9.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.423 ' O ' ' CB ' ' A' ' 123' ' ' ASP . 18.2 Cg_endo -74.99 177.82 8.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.771 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.437 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 4.8 t70 77.02 57.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.468 HD13 ' CG2' ' A' ' 133' ' ' VAL . 12.8 mt -112.68 92.14 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.09 133.52 49.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -115.94 -170.35 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.539 ' CG2' ' O ' ' A' ' 8' ' ' MET . 71.4 p -79.88 -28.03 39.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.07 54.08 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.35 -163.97 32.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.0 p -142.87 169.86 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 124' ' ' ILE . 26.2 t -144.83 152.58 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.586 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 90.8 m-70 -139.44 98.26 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.584 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 120' ' ' ALA . 58.4 t -57.32 129.52 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.487 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.0 OUTLIER -106.1 171.32 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.0 p -113.25 5.0 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.71 164.45 36.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 77.4 t -92.21 100.53 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.573 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 31.6 mt -48.66 160.49 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -141.07 152.82 66.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 166.13 29.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -70.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -175.33 -175.86 43.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 68.84 5.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.8 t -119.49 84.59 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.2 145.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 p -75.28 151.23 38.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.39 -59.28 3.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.03 64.72 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.27 161.62 34.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.014 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.51 -57.01 2.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.65 16.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.64 131.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.98 112.86 0.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.5 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 4.9 p -59.48 157.78 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 110.397 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -38.1 -56.15 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.472 ' CG ' HD12 ' A' ' 37' ' ' LEU . 19.5 mmm -61.79 -53.55 54.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.415 ' HB2' ' N ' ' A' ' 10' ' ' THR . 17.1 m-20 -49.31 -44.43 44.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.405 1.066 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -51.22 -36.98 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -74.23 -38.63 63.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' CG ' HG12 ' A' ' 25' ' ' VAL . 16.3 mttt -63.68 -40.72 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.56 -52.69 51.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.23 132.15 45.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -79.81 -34.23 39.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.96 -38.52 51.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.424 ' CZ ' HG12 ' A' ' 133' ' ' VAL . 2.6 m-85 -107.5 43.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.4 p -77.79 -60.29 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -39.08 11.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.478 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 8.8 tp -57.69 -54.76 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.461 HG12 ' CG ' ' A' ' 16' ' ' LYS . 71.3 t -44.81 -58.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.17 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 24' ' ' LEU . . . -64.44 -51.01 65.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 4.0 mt -58.63 -49.97 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -47.85 72.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -47.59 79.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.14 73.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.34 35.62 8.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.3 -19.77 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 m -51.94 -26.25 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.86 -53.99 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -55.09 -31.56 61.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 HD12 ' CG ' ' A' ' 12' ' ' MET . 15.4 mt -88.48 -0.3 57.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -91.04 -26.0 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -86.48 142.76 28.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -56.22 159.81 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.74 -131.58 4.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.485 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.9 m -150.76 130.1 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -156.86 116.39 3.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -93.54 102.26 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.55 156.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 84.8 m-85 -130.32 113.45 14.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.478 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.0 116.8 60.1 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.01 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -97.52 176.57 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.58 -44.1 83.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -17.98 63.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.24 -61.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.562 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 66.3 m-85 -59.33 -33.53 71.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -63.41 -26.72 68.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.38 -43.93 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt -43.84 143.5 1.69 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.2 35.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 0.32 9.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.02 -33.2 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -95.83 -16.7 21.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -74.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' GLY . 5.2 t -52.03 -21.57 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -63.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.7 mt -71.19 -47.9 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.08 -16.54 45.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -98.62 -84.61 1.79 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.16 129.35 39.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.87 -47.25 26.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -55.48 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.01 -46.0 91.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.356 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.62 -65.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -50.97 -49.42 60.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' ALA . 1.5 t-20 -40.09 -46.37 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.431 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 25.5 mm -69.76 -58.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 9.6 mt -44.46 -48.05 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -52.17 -53.09 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -64.38 -11.43 32.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 7.0 m80 -93.75 -23.01 18.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 80' ' ' GLY . 2.6 mt -101.6 144.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -113.39 165.98 12.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -100.24 36.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 177.13 158.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.485 HG12 ' CG1' ' A' ' 42' ' ' VAL . 13.1 mm -90.34 132.42 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.475 HD13 ' CG1' ' A' ' 93' ' ' VAL . 5.1 tt -132.9 119.37 20.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 m -127.87 145.18 35.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.6 p -73.7 66.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -135.52 48.57 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.714 ' O ' ' C ' ' A' ' 89' ' ' ILE . . . 158.47 -54.17 0.38 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.714 ' C ' ' O ' ' A' ' 88' ' ' GLY . 3.0 mm 1.46 101.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.36 -49.2 78.53 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -159.77 -56.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 93' ' ' VAL . 2.8 tm? -139.85 155.43 47.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.478 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 18.1 t -150.5 153.57 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -120.18 110.11 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -92.94 117.53 30.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -73.05 123.1 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -94.05 177.65 5.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.47 -44.96 13.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -51.08 -29.89 14.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.43 -45.93 1.12 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.5 133.39 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 135.36 33.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.16 146.75 24.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -103.18 130.01 50.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.8 123.65 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.14 176.77 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.024 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.5 tp -131.44 107.77 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -136.79 144.37 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.4 t30 55.71 19.22 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.2 16.28 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 112' ' ' VAL . 8.8 t -108.53 158.83 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.404 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 59.8 t -120.22 144.3 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.4 151.17 43.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 7.2 p -138.83 103.52 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 2.8 m-20 76.37 33.26 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 2.0 mtmt 69.06 29.88 4.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.76 142.27 37.34 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.239 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.61 19.33 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 111.033 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.489 HG11 ' CG ' ' A' ' 122' ' ' PRO . 73.0 t -90.53 146.83 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.437 ' N ' HG12 ' A' ' 119' ' ' VAL . . . -76.27 -64.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.34 88.37 4.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.489 ' CG ' HG11 ' A' ' 119' ' ' VAL . 18.2 Cg_endo -75.02 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 3.2 t0 76.64 60.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.417 ' CD1' HG13 ' A' ' 131' ' ' VAL . 10.8 mt -116.22 92.74 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.28 137.63 54.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.83 -166.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.5 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 74.6 p -81.32 -23.39 37.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.61 43.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.17 -168.36 41.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.37 170.52 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.417 HG13 ' CD1' ' A' ' 124' ' ' ILE . 23.7 t -147.22 150.17 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.591 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 83.9 m-70 -138.71 97.13 3.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 120' ' ' ALA . 76.4 t -55.45 134.44 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.477 HG13 ' CA ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -111.3 171.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 73.3 p -120.11 32.54 5.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 176.36 144.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 82.4 t -71.47 116.82 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 26.7 mt -68.51 155.17 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -135.95 151.53 74.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.431 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 154.28 42.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.49 93.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.98 -177.03 14.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -48.08 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.21 160.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.04 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.66 147.69 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -70.06 -60.21 2.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 0.763 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.19 123.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.68 -167.15 30.86 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -138.92 102.37 4.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -176.89 115.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.88 -118.83 0.83 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ptp -179.91 134.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.81 108.27 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.516 ' CG2' ' OG1' ' A' ' 127' ' ' THR . 5.2 p -58.56 156.3 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 110.373 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.37 -60.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.412 ' CG ' ' HB2' ' A' ' 37' ' ' LEU . 11.9 mmm -53.39 -43.53 67.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -62.27 -48.43 79.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.8 t -45.94 -27.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mt -86.17 -41.94 14.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' HG13 ' A' ' 25' ' ' VAL . 13.3 mttt -63.56 -49.43 73.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.0 -56.24 12.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -71.79 131.75 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -75.06 -37.38 61.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -42.02 -40.42 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -109.71 50.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 p -80.94 -56.13 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.68 -47.47 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.576 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.4 tp -47.98 -53.38 16.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG13 ' CG ' ' A' ' 16' ' ' LYS . 76.1 t -46.59 -55.78 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.19 -41.29 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.94 -49.41 76.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 7.1 mt -64.86 -42.72 95.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -43.56 94.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -45.08 64.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.0 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.12 39.45 9.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mt -101.47 -21.31 14.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' ASN . 8.6 m -44.44 -57.54 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -41.84 -61.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -46.69 -58.46 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 21.3 mt -63.97 -12.52 38.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.4 m-20 -91.36 17.78 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -127.64 141.69 51.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.65 152.87 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.78 -127.58 3.07 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.477 ' CG1' HG12 ' A' ' 83' ' ' ILE . 1.3 m -160.71 130.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -156.49 116.92 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 m -91.02 106.13 18.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 t -109.14 157.7 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 96.6 m-85 -130.16 113.04 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.576 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -104.98 117.2 59.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.54 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -75.0 -171.33 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.4 p -91.83 -173.14 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -76.71 -44.34 33.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -20.26 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.247 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -60.79 -52.8 63.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.54 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 55.9 m-85 -67.28 -29.19 68.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -65.48 -27.7 68.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.98 75.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 mt -47.72 140.1 8.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.5 Cg_endo -74.96 166.76 28.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.07 9.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.77 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -93.93 -42.63 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.66 -15.91 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -64.19 -76.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' GLY . 8.5 t -49.28 -23.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.51 -65.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.5 mt -71.09 -46.99 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.35 -15.21 33.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -100.48 -91.15 2.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.3 133.61 56.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.238 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.48 -44.86 27.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -41.44 -68.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.95 -29.44 42.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.83 -70.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.55 -39.11 22.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -47.46 -54.86 10.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.4 mm -61.01 -53.69 45.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 7.8 mt -48.7 -45.44 39.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -52.56 -54.53 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -64.86 -11.97 43.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -92.35 -22.02 19.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mt -101.37 149.96 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.43 -175.19 19.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -117.41 9.64 13.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 0.727 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -158.46 161.09 37.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.477 HG12 ' CG1' ' A' ' 42' ' ' VAL . 15.3 mm -91.9 119.62 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.506 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 2.7 tt -122.18 120.14 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.0 m -134.37 152.78 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.74 69.43 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -131.33 46.24 1.08 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.81 53.86 0.26 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 22.9 mm -76.69 -117.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 165.86 -43.65 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -175.0 -80.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.8 tp -125.15 132.52 53.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.417 ' CG1' HD12 ' A' ' 84' ' ' LEU . 96.7 t -122.29 131.55 72.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -97.73 111.27 23.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.39 116.71 30.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.12 115.51 9.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 98' ' ' LEU . 4.8 t -90.38 176.77 6.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.438 ' N ' ' OG ' ' A' ' 97' ' ' SER . 5.2 mt -86.53 -47.7 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -38.8 -32.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.1 -43.87 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.62 130.68 41.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.41 128.08 35.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 mt -77.25 160.73 28.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.83 130.31 53.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -144.82 125.05 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.87 165.45 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.402 ' CD1' ' O ' ' A' ' 111' ' ' VAL . 35.1 tp -123.48 114.07 19.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -136.32 148.39 47.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.6 m-20 56.59 18.84 3.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.358 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 45.2 t30 76.19 7.61 3.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.402 ' O ' ' CD1' ' A' ' 107' ' ' LEU . 6.6 t -106.26 150.78 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.0 t -95.04 135.07 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.37 149.99 51.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' A' ' 117' ' ' GLU . 6.6 p -135.1 128.05 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.417 ' O ' ' CB ' ' A' ' 116' ' ' LYS . 6.3 m-20 49.25 22.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 115' ' ' ASN . 1.6 mtmt 81.94 46.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.506 ' HB3' ' O ' ' A' ' 114' ' ' VAL . 1.5 tt0 -137.81 137.98 22.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.448 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 18.1 Cg_endo -75.08 131.21 13.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 133' ' ' VAL . 99.3 t -87.23 149.12 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.468 ' N ' HG12 ' A' ' 119' ' ' VAL . . . -81.13 -61.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -147.61 88.33 5.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.0 3.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 62.11 64.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.452 ' CD1' HG12 ' A' ' 131' ' ' VAL . 18.1 mt -112.48 92.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.47 132.44 53.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.98 -166.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.516 ' OG1' ' CG2' ' A' ' 10' ' ' THR . 60.2 p -83.44 -32.17 26.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.48 45.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.08 -168.76 41.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.42 1.075 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -134.79 170.12 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 11' ' ' VAL . 24.4 t -147.62 147.28 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 75.8 m-70 -136.93 96.7 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.475 ' O ' ' CG1' ' A' ' 119' ' ' VAL . 95.9 t -56.88 127.81 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.482 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.1 pt -105.07 170.91 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.1 p -119.76 32.35 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.423 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.421 ' N ' ' OE2' ' A' ' 117' ' ' GLU . 0.7 OUTLIER 175.9 148.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 79.3 t -73.13 118.61 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 12.0 mt -70.71 158.15 36.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -139.43 152.1 68.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.4 14.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.21 160.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.957 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -69.48 152.35 51.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -62.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.53 84.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.987 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.9 t -161.02 85.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -137.29 83.84 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -142.95 151.41 40.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.98 -172.61 48.88 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -81.18 94.14 6.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.95 144.56 11.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.958 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.36 -99.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -175.04 -163.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.08 94.91 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' VAL . 10.6 p -66.45 152.46 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.466 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.92 -55.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.432 ' SD ' ' CD1' ' A' ' 28' ' ' ILE . 20.8 mmm -61.96 -44.8 95.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 10' ' ' THR . 4.5 m-20 -58.48 -39.44 79.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -56.13 -28.85 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.4 mt -85.35 -40.23 16.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HG2' ' CG1' ' A' ' 25' ' ' VAL . 14.8 mttt -61.15 -44.92 96.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.04 -52.62 52.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.33 123.53 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -68.63 -44.34 74.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.74 -42.27 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -105.37 51.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.6 p -87.54 -66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -27.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.0 tp -68.35 -57.09 6.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.404 ' CG1' ' HG2' ' A' ' 16' ' ' LYS . 98.2 t -40.09 -55.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.34 -56.1 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.438 ' HB1' ' CD2' ' A' ' 71' ' ' LEU . . . -47.0 -47.17 22.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.469 ' HA ' ' CD1' ' A' ' 75' ' ' LEU . 45.0 mt -66.06 -59.27 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -45.02 -39.0 5.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -44.72 21.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 72' ' ' ALA . . . -59.8 -29.9 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.0 43.37 9.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -107.06 -21.61 12.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' ASN . 6.3 m -45.77 -55.98 5.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -43.29 -60.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -47.64 -55.86 8.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.67 -12.82 56.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -93.2 21.03 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -119.44 142.59 48.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.88 116.74 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.351 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.79 -135.24 3.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.15 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.482 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.8 m -147.63 131.71 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -156.01 116.98 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.9 m -91.42 105.7 17.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 t -108.69 157.52 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 87.0 m-85 -127.04 114.04 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.412 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.58 116.92 56.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.467 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.4 Cg_endo -74.99 -178.58 4.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 p -78.03 -171.82 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -77.43 -56.21 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.95 -20.85 59.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -52.51 -38.94 60.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -78.81 -47.26 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -49.14 -26.79 3.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.16 -46.01 65.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -45.71 141.3 4.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 165.2 31.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.56 8.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -94.76 -40.09 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.481 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.5 tp10 -95.51 -46.01 6.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -59.41 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -53.16 -53.93 43.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -43.38 -52.78 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.0 -60.68 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.71 -17.23 54.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -82.22 -94.48 0.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -60.73 130.1 44.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.91 -42.88 23.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -52.7 41.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.01 -37.75 88.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.438 ' CD2' ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -56.11 -68.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.461 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . . . -47.28 -37.24 10.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.69 -50.2 60.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.434 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 21.9 mm -64.67 -50.92 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 20.3 mt -52.46 -42.91 64.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -52.26 -54.63 28.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.437 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 63.5 t80 -64.9 -9.42 20.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 7.0 m80 -96.24 -18.58 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 80' ' ' GLY . 3.4 mt -101.82 145.72 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 79' ' ' ILE . . . -113.02 166.81 12.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.483 ' CG ' ' CD1' ' A' ' 98' ' ' LEU . 7.3 m-20 -108.13 37.31 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 177.64 161.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.482 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.0 mm -90.53 130.15 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 6.6 tt -134.13 119.82 19.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.0 m -128.43 156.7 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 p -58.65 -23.32 58.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.7 81.34 1.34 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.35 42.61 0.25 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 6.8 mm -85.25 -102.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.43 54.96 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 76.72 -62.1 0.42 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 93' ' ' VAL . 2.8 tm? -144.15 155.28 43.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.486 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 50.8 t -156.3 116.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -90.42 112.08 23.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.437 ' CD2' ' C ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -95.1 117.46 30.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.76 126.24 29.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 p -93.78 139.85 30.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.483 ' CD1' ' CG ' ' A' ' 81' ' ' ASP . 7.1 mp -52.39 -25.2 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -67.84 -18.82 64.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.81 -44.3 1.46 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -69.08 149.24 48.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.13 115.61 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.437 HD23 ' CZ ' ' A' ' 77' ' ' TYR . 3.5 mt -75.83 143.16 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.94 130.73 42.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.0 t -141.71 129.03 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.38 178.55 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 25.6 tp -129.21 110.25 11.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -137.39 140.28 41.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 m120 56.05 19.34 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 72.19 20.95 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.0 t -117.36 139.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.5 t -99.5 148.02 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.15 150.29 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 7.3 p -136.12 104.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 3.4 m-20 76.65 31.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.06 25.35 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -117.31 142.52 30.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.14 16.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 120' ' ' ALA . 66.9 t -91.04 158.95 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.41 ' N ' HG12 ' A' ' 119' ' ' VAL . . . -89.92 -77.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -130.7 87.21 50.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.13 7.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 69.18 59.07 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.435 ' CD1' HG11 ' A' ' 131' ' ' VAL . 12.8 mt -110.93 92.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.91 120.76 15.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.29 -167.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.17 -0.76 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 128' ' ' ASN . 22.6 p30 -170.92 37.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 162.77 -158.5 30.74 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.64 170.46 18.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.3 t -147.13 151.92 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 77.7 m-70 -138.81 98.28 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.73 120.68 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.441 HG13 ' CA ' ' A' ' 48' ' ' PRO . 1.3 pt -99.0 170.55 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 38.0 p -117.12 28.18 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -179.78 144.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 75.8 t -72.44 115.74 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 17.1 mt -65.66 164.59 14.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -138.39 153.54 72.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 167.31 27.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.9 p -84.21 -55.48 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 39.58 -160.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 177.35 8.68 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.21 105.17 11.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.1 p -101.62 141.14 34.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.95 HG22 ' OG1' ' A' ' 127' ' ' THR . 5.8 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.723 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.06 -57.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.646 ' SD ' HD13 ' A' ' 28' ' ' ILE . 25.9 mmm -59.94 -55.55 32.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.32 -46.79 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 t -48.44 -33.36 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.668 HD22 ' CB ' ' A' ' 47' ' ' ALA . 11.3 mt -81.08 -42.28 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.826 ' HG2' HG11 ' A' ' 25' ' ' VAL . 11.5 mtpt -59.67 -41.27 90.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.56 -50.65 62.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.487 ' HB3' ' CD2' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -70.55 124.79 25.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 0.787 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -39.85 77.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -34.6 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.1 m-85 -110.76 48.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.8 p -86.95 -63.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -24.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.593 HD22 ' HD2' ' A' ' 48' ' ' PRO . 8.6 tp -69.93 -53.37 18.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.826 HG11 ' HG2' ' A' ' 16' ' ' LYS . 86.7 t -45.58 -55.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.57 -41.33 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.609 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -61.77 -43.32 99.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 25' ' ' VAL . 11.1 mt -64.95 -55.62 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -48.16 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -46.32 89.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.48 ' CB ' HD12 ' A' ' 75' ' ' LEU . . . -62.08 -32.98 73.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.45 44.24 5.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 28' ' ' ILE . 4.6 mt -109.72 -22.01 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' ASN . 4.4 m -44.42 -54.33 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -53.04 -55.37 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -48.36 -49.1 35.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 10.2 mt -75.16 -16.64 60.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' THR . 6.9 t-20 -72.93 -37.98 66.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -75.93 138.91 41.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -45.78 168.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.522 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 133.39 -137.22 9.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -155.09 130.88 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -156.03 116.42 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 m -86.72 109.47 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.359 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.602 HG13 HG13 ' A' ' 79' ' ' ILE . 5.8 t -114.76 154.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 94.2 m-85 -125.07 115.21 20.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.668 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -107.26 117.11 56.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.593 ' HD2' HD22 ' A' ' 24' ' ' LEU . 18.1 Cg_endo -75.0 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 52' ' ' ALA . 38.4 p -73.93 -166.48 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -86.1 -46.18 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -14.74 61.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB2' ' OG1' ' A' ' 49' ' ' THR . . . -57.26 -32.94 67.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -80.35 -49.42 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -49.81 -22.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.9 -39.11 61.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.626 HD11 HG21 ' A' ' 137' ' ' VAL . 88.1 mt -52.05 139.51 33.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 18.4 Cg_endo -75.05 166.01 30.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.06 9.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.452 1.764 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -91.77 -41.06 10.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.5 tp10 -95.62 -47.01 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 57' ' ' PRO . 28.3 ttp85 -51.37 -64.81 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.8 t -45.31 -62.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' SER . 0.7 OUTLIER -37.79 -54.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.436 HD11 ' OE2' ' A' ' 60' ' ' GLU . 4.5 mt -50.73 -60.09 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.91 -18.33 55.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.79 -94.53 1.05 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.79 129.32 40.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.92 -44.67 19.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -56.15 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.44 -31.86 73.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.609 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -62.51 -70.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.69 -35.57 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -52.16 -53.84 38.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.421 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 23.9 mm -60.7 -48.36 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.649 ' O ' HD12 ' A' ' 79' ' ' ILE . 10.3 mt -55.36 -45.96 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -52.93 -46.72 68.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.866 ' O ' HD21 ' A' ' 103' ' ' LEU . 91.8 t80 -71.32 -15.89 62.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.8 m80 -89.89 -20.95 22.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.571 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 75' ' ' LEU . 4.0 mt -101.25 147.97 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.69 179.37 19.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -115.69 20.79 14.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' HD21 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -167.81 161.66 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.744 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.7 mm -92.27 110.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.682 HD23 ' N ' ' A' ' 85' ' ' VAL . 1.6 tt -116.6 119.81 36.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.685 HG12 ' HE1' ' A' ' 132' ' ' HIS . 31.5 m -137.34 158.61 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.564 ' HB2' HD22 ' A' ' 107' ' ' LEU . 87.2 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.486 ' CG1' HD11 ' A' ' 84' ' ' LEU . 72.9 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -109.59 111.15 22.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 96' ' ' LYS . 3.5 tt -93.49 118.97 32.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.49 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -71.3 111.22 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -179.23 7.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 mt -93.59 -46.32 7.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -30.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.04 -39.86 1.83 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.37 129.13 34.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 135.9 44.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.866 HD21 ' O ' ' A' ' 77' ' ' TYR . 30.0 mt -86.03 129.75 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.592 1.182 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -91.46 130.17 37.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 t -142.54 130.58 20.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 p -139.22 169.41 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.696 HD13 HG22 ' A' ' 112' ' ' VAL . 21.3 tp -128.43 112.49 14.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -137.31 140.22 41.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 5.1 m-20 57.63 18.14 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 25.4 t-20 76.75 13.61 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.1 t -107.68 139.53 29.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.696 HG22 HD13 ' A' ' 107' ' ' LEU . 66.2 t -98.28 141.14 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.41 148.05 45.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.629 HG13 HD21 ' A' ' 138' ' ' LEU . 2.7 p -132.75 103.97 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 1.5 m120 75.2 27.99 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 76.72 26.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.46 142.43 30.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.18 17.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 133' ' ' VAL . 52.9 t -90.69 150.34 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.65 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -80.12 -68.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -145.46 87.86 6.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.53 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -75.0 177.56 8.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.807 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t70 72.9 62.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.731 HD11 HG23 ' A' ' 133' ' ' VAL . 15.5 mt -113.47 93.11 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.6 mmt -64.96 130.01 41.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -113.36 -166.7 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.95 ' OG1' HG22 ' A' ' 10' ' ' THR . 45.2 p -82.1 -33.84 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.99 46.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 168.08 -169.87 41.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.744 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -134.14 170.03 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.723 ' CG2' HG23 ' A' ' 11' ' ' VAL . 25.5 t -147.88 149.3 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.685 ' HE1' HG12 ' A' ' 85' ' ' VAL . 65.3 m-70 -137.86 101.84 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.731 HG23 HD11 ' A' ' 124' ' ' ILE . 64.3 t -60.96 130.34 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.0 OUTLIER -106.87 165.95 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 20.0 p -96.51 -5.72 38.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.526 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.6 OUTLIER -162.47 152.14 15.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.626 HG21 HD11 ' A' ' 56' ' ' LEU . 3.6 t -67.06 128.81 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.629 HD21 HG13 ' A' ' 114' ' ' VAL . 21.8 mt -69.15 167.65 15.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -144.55 138.01 14.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.421 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.565 1.824 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.894 HG22 ' OG1' ' A' ' 127' ' ' THR . 3.0 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.74 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -36.93 -59.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.759 ' SD ' HD13 ' A' ' 28' ' ' ILE . 13.2 mmm -57.23 -46.52 82.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.416 ' HB2' ' N ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.09 -49.26 74.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.44 -32.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 47' ' ' ALA . 9.2 mt -78.75 -42.26 28.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.73 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.9 mttt -62.6 -47.25 84.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.22 -37.54 87.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.75 129.49 34.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -75.92 -43.91 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.89 -38.36 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.431 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.2 m-85 -108.28 54.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -89.47 -67.28 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.47 -30.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.7 tp -64.5 -54.59 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.73 HG11 ' HG2' ' A' ' 16' ' ' LYS . 70.2 t -45.91 -54.26 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.8 -44.07 6.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 1.057 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.63 -44.6 93.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.759 HD13 ' SD ' ' A' ' 12' ' ' MET . 63.0 mt -63.06 -58.66 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.96 -52.53 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -39.15 93.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.63 72.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.84 42.21 8.35 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 mt -109.07 -22.29 12.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.1 m -46.93 -53.03 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.37 -56.65 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -52.17 -48.31 65.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.8 mt -75.39 -4.4 39.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.3 t-20 -86.78 -24.86 24.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.79 157.03 20.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -66.03 159.12 26.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.661 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 143.31 -130.22 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 41' ' ' GLY . 3.4 m -158.87 130.24 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -156.56 116.31 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.5 m -87.56 105.24 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.418 HG13 HG13 ' A' ' 79' ' ' ILE . 3.0 t -107.2 156.16 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 91.7 m-85 -130.0 113.38 14.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.147 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -105.45 116.89 59.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.4 Cg_endo -74.94 173.12 15.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 5.4 p -75.21 -179.44 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.444 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.23 -45.37 56.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -15.35 58.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -66.63 -54.54 22.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.484 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 46.1 m-85 -65.43 -29.44 70.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -67.07 -27.94 67.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.239 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.59 69.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.597 HD22 ' CD ' ' A' ' 60' ' ' GLU . 12.0 mt -43.18 138.84 2.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.5 Cg_endo -75.0 166.96 28.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.76 18.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.09 -33.07 15.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.597 ' CD ' HD22 ' A' ' 56' ' ' LEU . 7.3 tt0 -96.01 -17.14 21.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -67.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 66' ' ' GLY . 36.7 t -58.74 -23.87 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -58.98 -50.38 74.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.405 HD11 HG13 ' A' ' 74' ' ' ILE . 34.3 mt -88.1 -45.17 10.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.74 -16.69 61.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -106.85 -75.88 0.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.98 128.42 36.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -82.66 -50.31 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -40.82 -58.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -36.0 78.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.057 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -52.15 -69.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -50.46 -48.66 56.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ALA . 11.0 t30 -39.69 -46.75 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.464 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 32.0 mm -70.05 -59.17 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.502 HD13 HG12 ' A' ' 28' ' ' ILE . 7.8 mt -44.05 -54.67 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HE3' ' HB1' ' A' ' 72' ' ' ALA . 16.3 mttt -46.14 -54.49 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.81 ' O ' HD11 ' A' ' 103' ' ' LEU . 77.0 t80 -61.35 -21.78 64.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 9.8 m80 -84.53 -19.38 33.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.617 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.418 HG13 HG13 ' A' ' 45' ' ' VAL . 5.2 mt -101.33 144.97 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.42 163.39 12.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -101.46 40.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 171.54 160.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.585 HG23 ' CG1' ' A' ' 130' ' ' VAL . 4.9 mm -89.66 134.14 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.622 ' C ' HD23 ' A' ' 84' ' ' LEU . 5.7 tt -141.81 119.98 12.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.619 HG12 ' CE1' ' A' ' 132' ' ' HIS . 34.6 m -136.22 159.56 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.995 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.557 ' CG1' HD11 ' A' ' 84' ' ' LEU . 35.1 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -103.8 114.93 29.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -106.42 115.75 30.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.588 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -69.46 123.6 21.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -93.28 149.89 20.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 98' ' ' LEU . 6.0 mp -58.6 -35.82 73.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.94 -19.28 51.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 114.16 -44.69 1.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.55 131.4 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 0.735 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 129.24 34.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.81 HD11 ' O ' ' A' ' 77' ' ' TYR . 32.8 mt -85.04 155.97 21.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.03 131.57 55.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -141.83 124.9 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -138.57 174.79 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 111' ' ' VAL . 27.3 tp -124.67 117.38 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -135.9 134.04 38.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 1.2 t-20 61.11 16.35 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 2.2 t-20 81.96 10.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.564 ' O ' HD12 ' A' ' 107' ' ' LEU . 15.1 t -107.97 150.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.3 t -104.33 133.25 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.65 149.35 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 114' ' ' VAL . 11.1 p -134.24 102.86 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 1.6 m-20 75.46 33.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt 71.8 25.37 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.602 ' OE2' HD23 ' A' ' 138' ' ' LEU . 2.0 mt-10 -116.84 138.91 25.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.2 Cg_endo -75.02 132.94 15.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 133' ' ' VAL . 56.5 t -87.68 146.94 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.718 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -76.27 -66.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -146.73 88.67 5.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.503 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -75.0 173.08 15.12 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.465 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 4.4 t70 76.62 60.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.793 ' CD1' HG23 ' A' ' 133' ' ' VAL . 11.9 mt -113.19 93.04 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -65.84 141.63 58.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -122.76 -166.35 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.894 ' OG1' HG22 ' A' ' 10' ' ' THR . 81.8 p -85.78 -23.86 27.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -158.58 48.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 163.23 -165.83 36.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.585 ' CG1' HG23 ' A' ' 83' ' ' ILE . 5.2 p -139.9 170.55 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.74 ' CG2' HG23 ' A' ' 11' ' ' VAL . 38.8 t -148.1 153.19 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.619 ' CE1' HG12 ' A' ' 85' ' ' VAL . 87.8 m-70 -140.4 99.83 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.793 HG23 ' CD1' ' A' ' 124' ' ' ILE . 64.7 t -57.57 129.16 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -106.5 171.39 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 120' ' ' ALA . 24.3 p -118.83 30.6 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.502 ' O ' HD12 ' A' ' 134' ' ' ILE . 1.3 m-20 179.39 148.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.91 110.67 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.602 HD23 ' OE2' ' A' ' 117' ' ' GLU . 25.5 mt -61.3 161.8 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -139.6 151.32 66.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.464 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.952 HG22 ' OG1' ' A' ' 127' ' ' THR . 6.1 p . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.832 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.6 -59.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.598 ' SD ' HG21 ' A' ' 28' ' ' ILE . 14.4 mmm -57.49 -47.9 80.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -55.94 -48.86 74.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 t -44.78 -29.64 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 mt -85.51 -42.71 14.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.682 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.9 mttt -59.41 -45.51 91.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.58 34.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.18 130.41 41.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.88 -34.09 59.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -44.55 -41.4 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -109.16 58.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.7 p -88.73 -54.17 4.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.2 mtp -52.91 -42.12 65.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 11.8 tp -53.97 -59.61 4.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' HG2' ' A' ' 16' ' ' LYS . 79.7 t -43.08 -54.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.73 -39.02 4.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 1.047 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -66.36 -44.32 83.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.598 HG21 ' SD ' ' A' ' 12' ' ' MET . 66.7 mt -63.03 -49.71 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -52.13 65.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -37.73 86.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.51 -30.91 69.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.38 34.01 15.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mt -102.13 -24.36 13.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.466 ' OG1' HG22 ' A' ' 28' ' ' ILE . 6.4 m -43.72 -50.17 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -53.99 51.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -54.33 -33.88 59.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' CB ' ' HG2' ' A' ' 12' ' ' MET . 22.6 mt -91.17 4.33 52.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -101.43 -21.84 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.98 151.99 23.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 155.68 7.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.612 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 141.96 -134.45 6.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 41' ' ' GLY . 11.4 m -157.56 131.52 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -155.71 117.9 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -89.4 102.37 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.631 HG13 HG13 ' A' ' 79' ' ' ILE . 3.3 t -104.34 156.44 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 80.4 m-85 -129.94 112.87 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.492 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.3 117.9 56.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.95 -179.14 4.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.484 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 2.7 p -86.48 178.22 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.68 -43.09 73.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -17.17 64.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -66.62 -58.3 5.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 71.0 m-85 -62.96 -36.68 84.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -60.15 -23.02 63.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.07 50.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 10.0 mt -54.4 141.35 53.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -74.97 175.2 11.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.4 20.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -84.67 -55.41 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.9 -15.82 63.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HG2' HD12 ' A' ' 65' ' ' LEU . 2.0 ttp180 -70.36 -73.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -19.22 15.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -60.06 -45.89 91.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.7 mt -97.53 -46.77 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.578 HD12 ' HG2' ' A' ' 61' ' ' ARG . 75.5 mt -60.07 -28.66 67.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.15 -85.35 1.06 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.18 119.53 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.7 78.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -57.82 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.74 -29.35 69.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.047 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.6 tt -61.33 -65.02 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.71 -45.52 66.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -42.07 -50.71 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.407 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 31.7 mm -64.41 -56.46 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.583 HD13 HG12 ' A' ' 28' ' ' ILE . 5.0 mt -46.58 -51.93 14.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -49.4 -52.04 31.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.635 ' O ' HD11 ' A' ' 103' ' ' LEU . 89.9 t80 -65.92 -19.18 65.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.0 m80 -86.26 -20.18 28.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.631 HG13 HG13 ' A' ' 45' ' ' VAL . 4.2 mt -101.13 147.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.55 176.56 17.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -117.03 38.04 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.489 ' HG2' HD21 ' A' ' 95' ' ' LEU . 3.9 pt-20 178.43 158.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.773 HG23 ' HB ' ' A' ' 130' ' ' VAL . 5.1 mm -92.25 101.86 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 85' ' ' VAL . 2.5 tt -115.15 121.58 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.726 HG12 ' CE1' ' A' ' 132' ' ' HIS . 18.7 m -136.46 175.64 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.016 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.416 ' CG1' HD11 ' A' ' 84' ' ' LEU . 24.7 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -104.94 106.01 16.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -89.3 116.99 27.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.493 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -73.1 122.12 21.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 p -92.56 177.69 6.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.5 mt -85.44 -45.68 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -47.63 -29.55 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 125.57 -40.73 1.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.45 133.82 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 133.28 35.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 77' ' ' TYR . 14.7 mt -89.32 147.8 23.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.98 130.37 53.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -139.98 127.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 p -140.72 171.19 14.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.1 tp -125.44 113.86 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -137.64 135.79 36.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 12.9 t30 59.59 18.75 7.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.5 t-20 76.25 15.99 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.4 t -110.17 139.48 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.7 t -99.62 139.82 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.74 150.74 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.7 p -138.23 104.88 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 2.4 m120 75.02 31.56 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 70.55 29.46 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -122.63 144.53 42.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 140.16 25.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 133' ' ' VAL . 72.1 t -97.22 147.7 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.792 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -79.27 -65.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.452 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.9 mt-10 -147.6 88.62 5.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.502 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.99 -178.4 4.14 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.798 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.459 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 2.4 m-20 63.32 65.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.772 HD12 HG12 ' A' ' 131' ' ' VAL . 20.8 mt -113.23 92.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 3.6 mmt -58.93 134.7 57.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -122.15 -166.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.952 ' OG1' HG22 ' A' ' 10' ' ' THR . 43.4 p -85.4 -34.63 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.449 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.59 49.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 166.54 -164.69 37.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.773 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -141.08 170.28 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.832 ' CG2' HG23 ' A' ' 11' ' ' VAL . 28.9 t -148.35 147.91 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.726 ' CE1' HG12 ' A' ' 85' ' ' VAL . 80.3 m-70 -137.56 97.14 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 120' ' ' ALA . 89.5 t -56.78 130.99 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.1 pt -106.05 171.29 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 40.7 p -118.81 31.75 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.391 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 174.43 144.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.9 125.18 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 20.3 mt -77.53 157.77 30.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -139.2 151.48 67.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.407 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.877 HG22 ' OG1' ' A' ' 127' ' ' THR . 3.7 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.407 -0.219 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.842 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.01 -56.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.624 ' SD ' HD13 ' A' ' 28' ' ' ILE . 8.0 mmm -61.41 -52.76 63.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.3 m-20 -49.75 -47.86 50.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -45.88 -36.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 47' ' ' ALA . 13.6 mt -73.53 -37.96 65.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.5 mttt -64.13 -41.11 97.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.01 -56.48 24.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.68 129.39 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -72.93 -42.34 63.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -39.99 -43.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.3 m-85 -103.8 54.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 p -89.16 -66.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.03 -31.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.74 -56.67 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.749 ' HA ' HD12 ' A' ' 28' ' ' ILE . 65.4 t -42.24 -51.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.43 -51.67 8.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.814 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -51.46 -55.75 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 25' ' ' VAL . 5.1 mt -51.48 -64.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -45.29 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -50.01 68.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.05 -32.56 72.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.24 42.73 5.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.08 -20.95 13.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.521 ' OG1' HG22 ' A' ' 28' ' ' ILE . 9.3 m -45.95 -53.69 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.4 mt-10 -54.32 -57.4 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -44.69 -50.03 10.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.72 -21.7 59.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' GLU . 8.2 t-20 -67.83 -31.09 70.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -79.75 143.71 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.62 159.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.524 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 141.72 -137.5 8.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 41' ' ' GLY . 3.7 m -155.0 130.98 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -156.63 118.75 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.513 ' HB ' HD11 ' A' ' 95' ' ' LEU . 19.5 m -88.98 105.47 17.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.448 HG13 HG13 ' A' ' 79' ' ' ILE . 3.3 t -110.44 155.88 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 98.6 m-85 -127.91 114.05 16.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.551 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -103.72 116.82 61.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.02 -175.9 2.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -90.69 -172.15 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.94 -46.63 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -19.64 62.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -63.6 -58.89 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 53.2 m-85 -62.49 -34.88 77.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -64.12 -24.31 67.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.03 -43.1 59.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.628 HD11 HG11 ' A' ' 137' ' ' VAL . 12.6 mt -42.11 143.49 1.01 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 163.0 36.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.52 8.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.48 -32.67 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.489 ' OE2' HD22 ' A' ' 56' ' ' LEU . 3.6 tt0 -95.9 -17.21 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -73.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.7 t -52.71 -23.04 5.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -57.65 -68.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.91 -48.34 71.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.98 -15.54 32.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -97.35 -85.32 1.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.23 141.31 57.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.37 -47.51 8.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -42.31 -67.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.47 -40.65 59.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.814 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -50.21 -70.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.99 -38.06 35.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -51.17 -46.02 61.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.472 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 24.4 mm -69.99 -52.25 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 79' ' ' ILE . 8.0 mt -50.88 -53.18 34.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -47.34 -53.84 12.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.594 ' O ' HD11 ' A' ' 103' ' ' LEU . 78.9 t80 -62.22 -20.53 64.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.4 m80 -84.34 -18.75 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.621 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.752 HG22 HD21 ' A' ' 98' ' ' LEU . 2.9 mt -103.17 146.84 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.42 176.05 17.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -114.52 45.12 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.439 ' HG2' ' CD2' ' A' ' 95' ' ' LEU . 1.1 pt-20 171.65 158.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.776 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.4 mm -92.06 121.14 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.441 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 4.4 tt -124.47 120.65 32.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.645 ' CG1' HG21 ' A' ' 130' ' ' VAL . 31.0 m -134.88 162.0 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.448 ' HB2' HD22 ' A' ' 107' ' ' LEU . 88.0 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -105.87 106.52 17.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.513 HD11 ' HB ' ' A' ' 44' ' ' THR . 1.1 tt -90.3 115.17 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.506 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -69.54 130.68 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -105.63 149.89 25.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.752 HD21 HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -59.48 -47.41 85.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.415 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 5.7 tm0? -44.75 -34.82 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.96 -46.94 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.64 133.9 52.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -80.42 134.13 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 77' ' ' TYR . 27.4 mt -92.78 143.49 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -102.34 130.37 49.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.35 125.1 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 p -136.81 177.95 7.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.448 HD22 ' HB2' ' A' ' 86' ' ' SER . 51.8 tp -137.25 106.7 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -133.39 143.0 48.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 13.8 m120 56.5 18.92 3.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.3 t-20 75.19 18.07 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.47 137.93 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -100.8 141.12 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.01 152.74 51.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 114' ' ' VAL . 12.6 p -139.09 106.87 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.469 HD22 HD22 ' A' ' 103' ' ' LEU . 3.2 m120 73.1 28.91 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt 73.64 30.16 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.629 ' OE1' HD23 ' A' ' 138' ' ' LEU . 2.7 mt-10 -122.88 143.5 40.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.97 18.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 133' ' ' VAL . 79.4 t -92.57 153.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.716 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -83.53 -69.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -145.04 86.57 7.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.496 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.97 177.91 7.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 2.6 t70 75.72 61.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.727 HD12 HG12 ' A' ' 131' ' ' VAL . 11.7 mt -115.83 93.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.6 mmt -68.5 132.34 46.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.09 -167.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.877 ' OG1' HG22 ' A' ' 10' ' ' THR . 18.8 p -88.99 -9.8 50.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.66 47.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 160.32 -166.12 35.14 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.776 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -138.39 169.99 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.842 ' CG2' HG23 ' A' ' 11' ' ' VAL . 24.5 t -148.25 149.42 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 67.5 m-70 -137.84 102.1 4.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.603 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.716 HG12 ' HB3' ' A' ' 120' ' ' ALA . 93.5 t -59.67 122.16 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 136' ' ' ASN . 43.0 pt -100.73 167.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.552 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 42.2 p -116.7 39.34 3.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.688 ' O ' HD12 ' A' ' 134' ' ' ILE . 1.0 OUTLIER 170.86 149.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.628 HG11 HD11 ' A' ' 56' ' ' LEU . 71.2 t -78.61 115.33 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.629 HD23 ' OE1' ' A' ' 117' ' ' GLU . 14.0 mt -65.97 158.26 28.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -143.96 146.98 36.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.472 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.944 HG22 ' OG1' ' A' ' 127' ' ' THR . 7.7 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.779 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -39.59 -55.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.604 ' SD ' HG21 ' A' ' 28' ' ' ILE . 14.2 mmm -60.16 -55.28 35.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' LYS . 10.5 m-20 -49.6 -48.85 48.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 t -44.56 -34.34 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.664 HD22 ' CB ' ' A' ' 47' ' ' ALA . 12.2 mt -78.08 -40.42 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.695 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.5 mttt -65.19 -44.82 87.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.41 -63.44 4.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.72 140.27 56.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 0.785 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -80.0 -36.67 35.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.2 -30.69 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -117.34 53.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.0 p -88.44 -68.92 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.543 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 56.6 mtp -41.12 -43.18 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.3 tp -49.4 -57.93 6.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.695 HG11 ' HG2' ' A' ' 16' ' ' LYS . 74.3 t -42.52 -51.34 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -44.25 -46.26 8.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 1.015 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.68 -45.33 92.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 25' ' ' VAL . 10.6 mt -64.99 -50.5 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.55 -45.69 69.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -45.42 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.52 67.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.32 42.96 26.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mt -104.73 -23.43 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -40.52 -56.66 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -57.13 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -52.52 -34.52 50.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.5 mt -93.43 8.39 40.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.54 -19.02 13.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -87.3 145.9 26.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -54.28 142.87 24.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.664 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 155.76 -132.59 3.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -159.54 130.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -156.27 119.9 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.9 m -89.91 100.72 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.536 HG13 HG13 ' A' ' 79' ' ' ILE . 2.7 t -102.26 155.94 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 82.5 m-85 -128.95 109.45 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.664 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -104.06 117.75 58.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.503 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.3 Cg_endo -74.99 -177.19 3.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.9 p -87.91 -172.22 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -51.91 11.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.15 -21.87 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -58.92 -55.16 38.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' LEU . 44.4 m-85 -62.65 -48.8 77.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -22.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -75.35 -39.84 58.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.616 HD11 HG11 ' A' ' 137' ' ' VAL . 14.0 mt -49.37 142.46 10.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -75.02 172.96 15.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.47 18.05 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -93.62 -42.95 8.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.7 -18.49 51.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.687 ' HD3' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -69.0 -74.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -19.84 8.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -47.91 79.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 mt -90.47 -47.46 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' HD3' ' A' ' 61' ' ' ARG . 95.7 mt -61.43 -17.34 53.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.4 -80.93 1.54 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.01 125.2 22.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.32 -42.59 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -61.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -29.66 67.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.015 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -57.4 -69.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.88 -40.54 43.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -48.66 -47.55 40.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 26.2 mm -68.85 -53.26 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 79' ' ' ILE . 10.8 mt -49.25 -45.99 45.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -51.74 -55.11 21.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.606 ' O ' HD11 ' A' ' 103' ' ' LEU . 89.8 t80 -63.66 -15.41 58.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.3 m80 -88.11 -20.06 26.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.771 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.2 mt -101.08 151.62 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.75 169.69 13.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.712 ' OD2' HD23 ' A' ' 98' ' ' LEU . 3.6 m-20 -100.59 12.07 38.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -166.58 165.5 16.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.669 HG23 ' HB ' ' A' ' 130' ' ' VAL . 8.7 mm -90.42 126.34 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 85' ' ' VAL . 2.3 tt -131.52 119.84 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.805 HG12 ' HE1' ' A' ' 132' ' ' HIS . 26.9 m -136.46 171.57 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 84' ' ' LEU . 98.6 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -91.33 117.25 29.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 96' ' ' LYS . 2.5 tt -104.82 117.78 34.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.547 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -74.95 110.18 9.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 98' ' ' LEU . 11.5 t -78.84 177.42 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.032 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.712 HD23 ' OD2' ' A' ' 81' ' ' ASP . 8.8 mt -82.08 -47.53 12.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -34.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.14 -43.09 1.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.78 136.6 57.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.43 126.39 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.606 HD11 ' O ' ' A' ' 77' ' ' TYR . 49.5 mt -81.43 163.19 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.84 130.74 49.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 93' ' ' VAL . 3.4 t -142.67 124.72 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 p -129.37 174.2 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.923 HD13 HG22 ' A' ' 112' ' ' VAL . 23.3 tp -135.19 112.89 10.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -137.46 145.24 42.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.2 m120 56.59 18.57 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.8 t-20 78.32 7.36 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.48 ' O ' HD12 ' A' ' 107' ' ' LEU . 6.1 t -105.1 142.7 17.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.923 HG22 HD13 ' A' ' 107' ' ' LEU . 68.2 t -95.95 145.79 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.03 152.54 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -138.73 106.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.484 HD22 HD22 ' A' ' 103' ' ' LEU . 4.7 m120 71.56 34.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 4.8 mtmm 68.79 34.73 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.49 ' OE2' HD23 ' A' ' 138' ' ' LEU . 1.6 mt-10 -126.82 142.29 43.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.54 20.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 133' ' ' VAL . 55.4 t -93.3 149.88 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.724 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.27 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.537 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.8 mt-10 -147.3 88.14 5.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.549 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.97 -178.07 3.9 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.4 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 1.9 m-20 62.92 65.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.771 HD12 HG12 ' A' ' 131' ' ' VAL . 14.5 mt -114.89 92.29 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 3.9 mmt -60.47 130.01 44.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -112.32 -166.2 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.944 ' OG1' HG22 ' A' ' 10' ' ' THR . 17.2 p -93.56 -10.09 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -170.59 45.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 162.43 -163.7 35.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.669 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -137.53 169.56 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.779 ' CG2' HG23 ' A' ' 11' ' ' VAL . 24.7 t -149.0 145.98 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.805 ' HE1' HG12 ' A' ' 85' ' ' VAL . 67.9 m-70 -136.41 97.88 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.724 HG12 ' HB3' ' A' ' 120' ' ' ALA . 92.7 t -57.18 127.56 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.3 pt -105.49 171.46 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.443 HG22 ' HB2' ' A' ' 120' ' ' ALA . 61.4 p -118.33 35.23 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.656 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER 175.09 149.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.616 HG11 HD11 ' A' ' 56' ' ' LEU . 80.8 t -78.85 107.06 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 27.7 mt -56.78 157.63 5.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -141.05 151.55 62.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.961 HG22 ' OG1' ' A' ' 127' ' ' THR . 20.0 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.71 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -43.91 -49.88 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.564 ' SD ' HG21 ' A' ' 28' ' ' ILE . 20.4 mmm -62.98 -55.98 21.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -50.15 -44.39 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -48.18 -33.57 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 47' ' ' ALA . 8.7 mt -81.27 -43.02 19.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.681 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.4 mttt -59.64 -49.12 78.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.86 -56.19 19.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.83 122.55 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -67.86 -33.82 75.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -53.76 -26.98 26.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.8 m-85 -118.55 44.88 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -86.94 -51.76 5.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.957 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -34.68 68.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.5 tp -61.09 -52.74 63.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.681 HG11 ' HG2' ' A' ' 16' ' ' LYS . 70.4 t -45.0 -51.55 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.17 -38.48 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.909 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -67.04 -46.29 74.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.564 HG21 ' SD ' ' A' ' 12' ' ' MET . 18.8 mt -65.51 -48.47 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -53.91 44.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -40.82 97.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.32 72.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.61 41.83 9.58 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -106.91 -24.43 12.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.426 ' OG1' HG22 ' A' ' 28' ' ' ILE . 15.5 m -41.91 -51.21 4.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.366 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -57.47 10.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -55.24 -28.76 55.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -95.81 3.42 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.1 t-20 -105.16 -20.44 13.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.93 145.77 31.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -57.18 136.32 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.639 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 160.62 -129.97 2.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.429 1.08 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -159.17 130.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -156.27 119.84 4.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 m -91.47 107.1 18.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.578 HG22 HG12 ' A' ' 79' ' ' ILE . 4.6 t -110.84 157.71 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 94.7 m-85 -128.82 116.07 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.681 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -108.49 117.1 55.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.559 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.97 167.14 27.71 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.756 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.9 p -67.17 -177.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -78.03 -39.7 41.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -12.05 61.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.92 -60.71 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.559 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 60.8 m-85 -60.22 -32.48 71.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -64.03 -26.97 68.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.72 -40.33 55.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.3 mt -44.88 139.39 3.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -74.99 174.08 13.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.29 21.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -87.18 -43.89 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.19 -23.2 51.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -65.5 -76.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -53.49 -28.35 30.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -46.02 72.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -97.72 -47.01 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.5 HD12 ' HG2' ' A' ' 61' ' ' ARG . 91.9 mt -60.82 -15.71 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -98.49 -79.64 1.47 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.03 132.9 55.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.16 -47.16 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -46.84 -56.28 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.79 -32.53 72.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.909 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -57.3 -70.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.98 -42.05 59.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -46.53 -49.15 19.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mm -65.99 -54.53 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 78' ' ' HIS . 6.2 mt -48.37 -52.36 22.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -45.68 -51.24 12.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.656 ' O ' HD11 ' A' ' 103' ' ' LEU . 64.7 t80 -64.69 -24.3 67.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 11.5 m80 -81.88 -20.65 38.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.578 HG12 HG22 ' A' ' 45' ' ' VAL . 6.1 mt -101.7 150.0 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.03 177.29 16.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -112.96 38.14 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.8 pt-20 174.16 161.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.56 HG23 ' HB ' ' A' ' 130' ' ' VAL . 8.4 mm -93.15 130.71 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 85' ' ' VAL . 4.1 tt -136.85 120.02 16.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.608 ' N ' HD23 ' A' ' 84' ' ' LEU . 15.6 m -134.63 168.84 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.992 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -104.9 113.49 27.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -95.38 119.55 34.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.648 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -69.38 127.33 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -101.71 174.36 5.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.53 -45.2 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.94 -30.39 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.54 -43.98 1.28 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.31 129.95 40.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.92 139.28 40.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.656 HD11 ' O ' ' A' ' 77' ' ' TYR . 29.0 mt -92.64 138.39 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.72 130.56 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 113' ' ' SER . 2.3 t -140.32 127.18 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 p -140.74 173.1 11.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 45.0 tp -125.29 108.32 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -129.12 138.61 51.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 58.46 19.16 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 75.17 19.33 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.9 t -114.98 143.9 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.1 144.06 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.433 ' O ' HG13 ' A' ' 105' ' ' VAL . 0.6 OUTLIER -138.94 150.22 45.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.484 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 4.3 p -135.76 101.65 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 3.2 m-20 78.75 31.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.404 ' C ' ' OE1' ' A' ' 117' ' ' GLU . 0.0 OUTLIER 76.6 1.33 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -92.55 142.23 25.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.31 26.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 133' ' ' VAL . 96.6 t -99.4 158.4 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -92.53 -81.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.535 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.8 mm-40 -124.33 87.11 54.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.37 4.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.71 64.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.728 HD12 HG12 ' A' ' 131' ' ' VAL . 17.0 mt -112.34 92.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 4.3 mmt -63.31 130.7 45.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -113.03 -166.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.961 ' OG1' HG22 ' A' ' 10' ' ' THR . 43.8 p -90.85 -15.83 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -166.23 45.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 163.26 -167.72 37.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.56 ' HB ' HG23 ' A' ' 83' ' ' ILE . 1.7 p -133.56 170.24 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.728 HG12 HD12 ' A' ' 124' ' ' ILE . 24.3 t -147.89 147.58 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.585 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 69.0 m-70 -136.65 97.17 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.624 HG23 ' CD1' ' A' ' 124' ' ' ILE . 86.8 t -58.92 126.87 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -104.33 170.63 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.541 HG22 ' HB2' ' A' ' 120' ' ' ALA . 4.9 p -110.81 23.73 13.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.455 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.677 ' O ' HD12 ' A' ' 134' ' ' ILE . 1.9 m-80 174.91 152.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 64.4 t -70.53 132.09 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 21.7 mt -77.52 162.77 26.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -142.5 144.54 30.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 127' ' ' THR . 4.8 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.836 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.74 -55.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.512 ' SD ' HG21 ' A' ' 28' ' ' ILE . 10.5 mmm -55.54 -46.77 77.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -58.06 -48.18 80.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.42 -30.67 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 12' ' ' MET . 11.9 mt -81.21 -41.22 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HG2' HG11 ' A' ' 25' ' ' VAL . 13.0 mttt -60.91 -43.3 98.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.35 -53.87 42.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.72 130.89 44.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -78.08 -42.82 30.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -38.45 -43.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -107.46 55.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 p -82.4 -58.99 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.952 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.13 -44.54 32.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 9.0 tp -47.63 -53.79 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.708 ' HA ' HD12 ' A' ' 28' ' ' ILE . 38.5 t -47.37 -58.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.53 -49.25 4.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.661 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -54.38 -46.74 73.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 25' ' ' VAL . 9.7 mt -64.19 -56.59 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -48.53 -42.47 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -46.71 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 -32.61 71.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.69 40.72 8.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.35 -19.2 14.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.5 m -48.31 -52.68 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.8 mt-10 -48.75 -59.12 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -45.14 -54.49 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD13 ' HG2' ' A' ' 12' ' ' MET . 9.0 mt -68.41 -19.87 64.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -70.06 -27.58 64.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -82.05 140.72 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.05 143.25 39.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.503 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 159.52 -133.45 3.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.122 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 41' ' ' GLY . 1.6 m -154.34 130.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -157.35 117.34 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.1 m -87.85 110.16 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 79' ' ' ILE . 10.1 t -113.8 157.92 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 86.0 m-85 -128.94 117.97 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.426 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -103.97 117.73 58.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.486 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -74.96 -179.67 5.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' ' 135' ' ' THR . 29.8 p -78.67 -171.41 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -80.09 -47.65 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.07 -12.62 60.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -62.78 -49.66 74.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.42 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 38.4 m-85 -68.56 -45.37 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -55.49 -25.83 39.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.14 -46.3 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 89.9 mt -42.87 140.11 1.95 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -74.97 165.82 30.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.32 9.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -94.32 -41.88 9.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.7 tp10 -93.53 -47.72 6.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -62.22 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -50.55 -50.88 52.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.09 -54.84 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 71' ' ' LEU . 5.8 mt -51.84 -59.68 4.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -60.55 -17.02 43.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.369 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.8 -94.8 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -61.1 122.74 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.61 75.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.73 -64.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.84 -37.72 63.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.661 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -58.97 -70.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.87 -37.52 6.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -49.87 -49.84 47.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.467 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 21.8 mm -65.02 -52.14 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.7 mt -51.07 -49.51 60.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -50.2 -54.34 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.566 ' O ' HD21 ' A' ' 103' ' ' LEU . 89.3 t80 -62.58 -17.46 60.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -87.95 -21.3 24.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.635 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.4 mt -101.49 147.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.55 169.09 12.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -106.07 39.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 171.19 162.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.442 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.7 mm -88.3 130.86 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.681 ' C ' HD23 ' A' ' 84' ' ' LEU . 4.1 tt -138.51 119.81 14.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.846 HG12 ' HE1' ' A' ' 132' ' ' HIS . 11.8 m -138.12 176.84 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.974 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -90.26 114.76 26.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -104.84 113.96 27.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.527 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -65.5 128.84 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 p -101.3 173.2 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.74 -57.59 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -39.49 -31.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.94 -44.06 1.27 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 133.24 51.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -78.93 135.22 36.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.566 HD21 ' O ' ' A' ' 77' ' ' TYR . 42.3 mt -88.59 133.4 34.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -96.98 130.61 44.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.98 125.89 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.1 p -131.23 178.45 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.603 HD13 HG22 ' A' ' 112' ' ' VAL . 14.6 tp -134.17 108.14 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.04 137.36 42.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 96.4 m-20 59.61 17.93 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.5 t-20 74.89 22.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.3 t -116.06 140.48 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.603 HG22 HD13 ' A' ' 107' ' ' LEU . 75.0 t -99.16 136.0 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.49 152.96 48.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.542 HG13 HD21 ' A' ' 138' ' ' LEU . 6.6 p -134.82 110.82 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.6 m120 68.75 30.75 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 74.05 27.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.654 ' OE1' HD23 ' A' ' 138' ' ' LEU . 5.1 mt-10 -118.99 142.79 32.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.2 Cg_endo -74.98 135.53 19.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 133' ' ' VAL . 53.5 t -91.45 151.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.82 -69.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -143.88 87.65 7.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.516 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.1 Cg_endo -75.03 177.61 8.37 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.42 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 7.1 t0 73.8 56.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.801 HD11 HG23 ' A' ' 133' ' ' VAL . 10.4 mt -109.34 92.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.3 mmt -67.07 132.96 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.02 -169.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -93.92 2.15 56.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.411 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -175.6 49.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.0 -159.01 27.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.02 170.42 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.836 ' CG2' HG23 ' A' ' 11' ' ' VAL . 40.4 t -147.83 152.78 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.846 ' HE1' HG12 ' A' ' 85' ' ' VAL . 84.7 m-70 -138.64 102.02 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.801 HG23 HD11 ' A' ' 124' ' ' ILE . 98.2 t -59.89 126.95 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 136' ' ' ASN . 12.9 pt -105.0 165.82 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.563 ' HA ' HG23 ' A' ' 49' ' ' THR . 30.8 p -111.1 29.56 7.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.486 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.9 OUTLIER 175.42 147.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.423 HG23 ' HB1' ' A' ' 52' ' ' ALA . 93.3 t -74.27 127.66 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.654 HD23 ' OE1' ' A' ' 117' ' ' GLU . 23.8 mt -75.66 161.34 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -141.13 150.38 58.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.467 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.533 1.807 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.735 HG22 HG22 ' A' ' 127' ' ' THR . 3.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.671 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.71 -51.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.756 ' SD ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -56.79 -47.88 79.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.0 m-20 -62.28 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -49.24 -34.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.53 -41.33 55.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HG2' HG11 ' A' ' 25' ' ' VAL . 16.6 mttt -65.38 -46.73 78.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.3 -46.15 80.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.29 137.8 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -84.46 -41.07 16.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -42.25 -41.92 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -108.01 58.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -89.17 -45.48 9.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.963 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -36.87 80.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.578 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.2 tp -58.11 -55.43 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.576 HG11 ' HG2' ' A' ' 16' ' ' LYS . 44.2 t -44.12 -54.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.12 -46.76 4.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.852 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.32 -45.14 92.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.677 HG22 ' OG1' ' A' ' 34' ' ' THR . 26.6 mt -60.3 -57.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -52.34 47.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -45.59 93.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.493 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -63.12 -33.14 74.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 86.14 41.12 7.19 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 75' ' ' LEU . 2.5 mt -109.13 -18.42 13.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.736 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.756 HG23 ' SD ' ' A' ' 12' ' ' MET . 9.9 m -49.95 -37.62 32.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.5 mt-10 -63.09 -58.39 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -49.03 -36.73 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 mt -81.5 -22.51 37.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLU . 2.9 t-20 -68.68 -32.84 72.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -78.71 141.95 37.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.74 155.11 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.67 -139.79 7.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -150.8 130.37 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.501 ' HB3' HG23 ' A' ' 79' ' ' ILE . 61.9 m-85 -156.95 117.91 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.1 m -85.44 102.05 13.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.641 HG13 HG13 ' A' ' 79' ' ' ILE . 2.7 t -104.82 157.25 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 95.2 m-85 -129.98 111.19 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.578 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -103.99 117.6 59.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -75.04 -172.51 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 p -91.71 -168.77 2.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.35 -52.54 8.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -14.26 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -65.68 -59.26 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 40.3 m-85 -58.79 -37.64 76.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -62.67 -26.51 68.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -66.16 -36.71 83.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.581 HD11 HG11 ' A' ' 137' ' ' VAL . 65.8 mt -52.69 151.78 7.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 174.08 13.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.27 -63.09 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.88 -43.48 49.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -53.84 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' GLY . 3.8 t -44.8 -34.24 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -67.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.475 HD11 HG13 ' A' ' 74' ' ' ILE . 13.5 mt -57.0 -53.7 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.71 -16.9 44.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.16 -92.57 1.04 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.64 142.47 57.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.98 -45.81 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -57.76 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.19 -41.37 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.852 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -53.18 -69.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.493 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -46.65 -42.12 15.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -45.3 -55.44 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.475 HG13 HD11 ' A' ' 64' ' ' LEU . 27.8 mm -58.65 -51.35 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.8 mt -51.21 -47.14 62.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -53.87 -49.6 68.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.453 ' O ' HD21 ' A' ' 103' ' ' LEU . 63.5 t80 -69.44 -6.31 29.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.6 m80 -98.31 -21.26 16.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.649 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.813 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.0 mt -102.0 147.16 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.678 ' HA3' HD21 ' A' ' 95' ' ' LEU . . . -112.39 166.74 12.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -99.3 28.47 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -177.94 163.26 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.689 HD12 HG12 ' A' ' 130' ' ' VAL . 14.4 mm -88.88 131.35 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.452 ' C ' HD23 ' A' ' 84' ' ' LEU . 8.6 tt -130.01 119.52 23.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.96 159.57 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 105' ' ' VAL . 74.3 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -107.86 108.95 20.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.678 HD21 ' HA3' ' A' ' 80' ' ' GLY . 5.7 tt -93.54 133.71 36.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -88.42 109.75 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.7 t -86.37 175.2 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.56 -36.79 13.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -48.47 -32.25 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.87 -45.51 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.31 130.5 40.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 131.8 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.453 HD21 ' O ' ' A' ' 77' ' ' TYR . 10.9 mt -77.32 164.77 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -129.82 129.74 44.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' VAL . 2.5 t -143.3 122.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 p -129.76 164.53 23.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.832 HD12 ' O ' ' A' ' 111' ' ' VAL . 26.7 tp -127.45 113.17 15.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.47 146.93 46.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 45.8 m-80 56.74 19.17 4.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 7.8 t-20 76.88 11.58 2.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.832 ' O ' HD12 ' A' ' 107' ' ' LEU . 5.8 t -108.54 146.62 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.82 HG22 HD13 ' A' ' 107' ' ' LEU . 66.5 t -96.56 135.3 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.5 OUTLIER -127.84 149.25 50.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.051 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.649 HG13 HD21 ' A' ' 138' ' ' LEU . 9.9 p -134.72 110.76 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.45 HD22 ' CD2' ' A' ' 103' ' ' LEU . 9.8 m120 67.78 31.24 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.37 34.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.41 142.87 44.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.39 20.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 133' ' ' VAL . 73.9 t -92.6 146.42 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.824 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -75.84 -64.61 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -149.23 88.63 5.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.483 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.93 174.22 13.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.462 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 0.1 OUTLIER 75.15 58.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.783 ' CD1' HG23 ' A' ' 133' ' ' VAL . 10.4 mt -110.43 93.08 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.81 125.39 26.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -106.9 -169.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.735 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -95.77 9.06 41.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.407 ' OD1' ' HA ' ' A' ' 10' ' ' THR . 14.4 p-10 -179.45 52.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.49 -158.72 27.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.689 HG12 HD12 ' A' ' 83' ' ' ILE . 4.1 p -141.89 170.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.715 HG12 HD12 ' A' ' 124' ' ' ILE . 39.5 t -148.78 151.97 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 87.1 m-70 -138.37 99.69 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.615 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.824 HG12 ' HB3' ' A' ' 120' ' ' ALA . 84.1 t -57.54 129.9 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.1 pt -107.59 171.2 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 120' ' ' ALA . 39.4 p -117.31 26.44 9.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER -177.26 148.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.581 HG11 HD11 ' A' ' 56' ' ' LEU . 68.8 t -76.9 107.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.649 HD21 HG13 ' A' ' 114' ' ' VAL . 14.2 mt -55.89 160.88 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -141.84 152.61 62.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.956 HG22 ' OG1' ' A' ' 127' ' ' THR . 5.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.95 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.02 -54.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.702 ' SD ' HG21 ' A' ' 28' ' ' ILE . 5.9 mmm -62.51 -49.55 74.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' LYS . 25.1 m-20 -55.18 -45.09 75.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -46.59 -28.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 47' ' ' ALA . 4.0 mt -87.92 -36.08 17.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.615 ' HG2' HG11 ' A' ' 25' ' ' VAL . 13.2 mttt -67.52 -37.16 82.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.51 -59.43 7.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -67.64 125.99 27.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -71.19 -32.97 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.19 -37.39 4.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.6 m-85 -113.19 49.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 p -80.72 -52.37 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -45.88 67.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 9.8 tp -52.23 -55.88 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.707 ' HA ' HD12 ' A' ' 28' ' ' ILE . 55.4 t -41.23 -59.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -39.32 -39.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.733 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -61.25 -55.67 29.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 25' ' ' VAL . 3.4 mt -54.58 -51.39 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.18 -47.32 72.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -49.62 68.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB3' HD12 ' A' ' 75' ' ' LEU . . . -59.96 -32.7 71.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 82.54 46.47 6.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 36' ' ' THR . 4.0 mt -108.82 -14.52 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.7 m -47.65 -61.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.434 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.45 -51.0 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 33' ' ' LEU . 1.1 m -51.07 -50.44 58.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.481 HD13 ' HG2' ' A' ' 12' ' ' MET . 8.1 mt -77.58 -9.49 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.2 t-20 -90.9 19.47 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -126.47 145.19 50.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -57.09 151.35 15.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.477 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 142.62 -128.93 3.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.488 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.1 m -153.39 131.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -154.22 115.97 4.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' GLY . 3.6 m -94.0 101.97 14.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.544 HG13 HG13 ' A' ' 79' ' ' ILE . 3.5 t -107.11 154.93 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 89.1 m-85 -126.93 113.27 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.703 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -105.94 116.95 58.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.1 Cg_endo -75.03 -174.18 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.489 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 12.3 p -98.62 -176.19 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -69.83 -43.89 71.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -14.81 22.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -74.61 -67.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.56 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 70.6 m-85 -57.09 -29.11 63.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -29.99 71.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.15 -41.32 64.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 56' ' ' LEU . 9.3 mt -43.42 135.68 3.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.02 174.65 12.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.48 20.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.815 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -82.49 -44.78 15.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -19.65 53.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -67.32 -77.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -20.1 3.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -55.7 22.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.59 -46.56 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.16 -14.95 28.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.2 -86.72 1.86 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.85 131.26 50.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.21 -47.84 15.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -40.51 -59.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.86 -41.19 95.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.733 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -52.98 -67.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.67 -41.05 41.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.69 -47.97 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.7 mm -66.93 -49.6 72.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.838 ' O ' HD12 ' A' ' 79' ' ' ILE . 9.4 mt -52.93 -44.86 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -54.9 -45.82 74.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.424 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 84.5 t80 -72.76 -9.24 58.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.9 m80 -96.53 -18.93 19.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.63 143.89 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -112.52 156.03 15.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -97.42 41.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 0.805 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.446 ' HG2' HD21 ' A' ' 95' ' ' LEU . 2.3 pt-20 175.02 157.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.488 HG12 ' CG1' ' A' ' 42' ' ' VAL . 12.6 mm -92.83 125.1 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 2.7 tt -132.14 120.54 22.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.536 HG12 ' HE1' ' A' ' 132' ' ' HIS . 30.8 m -134.11 168.07 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.4 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -105.15 104.51 14.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -88.92 111.9 22.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.493 ' N ' HD23 ' A' ' 95' ' ' LEU . 23.6 tttt -69.94 127.42 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.67 149.16 25.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 98' ' ' LEU . 7.2 mp -50.25 -47.09 55.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.424 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 59.5 tp60 -43.5 -37.7 2.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.11 -46.97 1.04 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.94 130.79 43.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 136.26 39.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.1 mt -92.6 143.46 26.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -94.91 130.18 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -145.51 124.96 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 p -139.18 177.26 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.4 tp -129.1 108.61 10.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.36 136.55 39.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.76 18.6 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.8 t30 72.07 22.48 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.2 t -116.74 136.32 54.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.365 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.77 136.37 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.64 152.4 51.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.033 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.424 HG13 HD21 ' A' ' 138' ' ' LEU . 5.9 p -137.74 104.72 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.417 ' ND2' HD22 ' A' ' 138' ' ' LEU . 2.5 m-20 74.11 35.24 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 2.9 mtmp? 68.77 28.98 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.65 ' OE1' HD23 ' A' ' 138' ' ' LEU . 4.2 mt-10 -120.21 140.56 30.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.2 Cg_endo -74.98 134.32 17.7 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 133' ' ' VAL . 54.0 t -90.36 152.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.65 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -85.17 -71.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.427 ' O ' HD11 ' A' ' 124' ' ' ILE . 44.0 mt-10 -140.06 87.96 12.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -74.99 -177.91 3.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.5 65.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.86 HD11 HG23 ' A' ' 133' ' ' VAL . 29.1 mt -112.07 94.39 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.429 ' CE ' ' HA ' ' A' ' 125' ' ' MET . 7.0 mmt -56.76 133.33 54.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -121.47 -166.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.956 ' OG1' HG22 ' A' ' 10' ' ' THR . 29.8 p -82.43 -42.55 18.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.95 45.99 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.631 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 172.0 -167.13 40.1 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -136.45 170.21 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.95 ' CG2' HG23 ' A' ' 11' ' ' VAL . 15.4 t -148.69 144.2 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 79.3 m-70 -131.44 99.3 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.641 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.86 HG23 HD11 ' A' ' 124' ' ' ILE . 62.0 t -60.43 123.76 13.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.3 pt -100.76 170.55 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.65 HG22 ' HB2' ' A' ' 120' ' ' ALA . 70.0 p -115.83 24.25 11.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.624 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.4 OUTLIER -175.38 148.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.44 121.84 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.65 HD23 ' OE1' ' A' ' 117' ' ' GLU . 20.7 mt -72.29 162.09 29.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -143.88 148.58 42.95 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.526 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 1.061 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -47.3 -51.48 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.762 ' SD ' HD13 ' A' ' 28' ' ' ILE . 6.1 mmm -60.69 -63.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -47.28 -45.59 24.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 10' ' ' THR . 3.8 t -45.62 -31.81 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.475 HD22 ' CB ' ' A' ' 47' ' ' ALA . 9.8 mt -81.31 -38.56 26.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HG2' HG11 ' A' ' 25' ' ' VAL . 1.4 mtpt -62.51 -46.28 89.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.06 -47.5 60.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -80.74 132.21 35.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 0.767 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.94 -35.28 57.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.1 -39.56 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.5 57.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -68.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.2 mtp -40.47 -38.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 12.4 tp -58.43 -58.55 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.866 ' HA ' HD12 ' A' ' 28' ' ' ILE . 22.4 t -42.68 -57.86 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.66 -44.69 4.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.913 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -56.42 -44.76 80.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 25' ' ' VAL . 7.1 mt -66.31 -50.94 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -50.54 -48.34 57.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -32.0 65.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.494 ' CB ' HD12 ' A' ' 75' ' ' LEU . . . -70.78 -29.26 65.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 76.56 39.65 29.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mt -106.6 -19.26 13.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' ASN . 49.7 m -44.58 -57.15 3.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -48.11 62.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -26.27 64.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.477 HD23 ' CG ' ' A' ' 43' ' ' TYR . 9.4 mt -102.34 -1.29 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -107.11 22.15 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -121.24 141.25 51.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -46.54 129.45 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.03 -140.86 7.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -148.57 137.99 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.356 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CG ' HD23 ' A' ' 37' ' ' LEU . 91.7 m-85 -156.19 116.13 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.9 m -90.43 110.97 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 79' ' ' ILE . 8.7 t -115.57 157.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 91.9 m-85 -126.35 115.61 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -107.46 116.58 57.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.556 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.99 -177.28 3.36 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.599 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 2.9 p -93.15 172.25 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -61.83 -46.28 90.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.55 -22.84 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -64.15 -57.0 10.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 71.2 m-85 -64.06 -42.37 97.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -55.42 -20.67 12.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -80.17 -42.88 22.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 137' ' ' VAL . 10.8 mt -44.31 140.85 2.82 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -74.97 173.57 14.27 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -8.43 20.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -91.28 -45.89 8.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.168 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.21 -17.33 59.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -70.55 -75.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 66' ' ' GLY . 32.9 t -55.92 -24.76 39.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 1.4 mmm180 -59.35 -44.5 92.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.8 mt -96.01 -47.04 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.426 HD12 ' HG2' ' A' ' 61' ' ' ARG . 66.4 mt -60.73 -25.31 66.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -90.22 -76.93 1.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 129.06 38.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.51 -36.53 24.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.9 -56.18 17.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -62.86 -41.66 99.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.913 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -46.53 -69.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -47.01 -51.89 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' ALA . 5.0 t-20 -39.88 -46.73 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.9 mm -67.91 -52.2 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.494 HD12 ' CB ' ' A' ' 31' ' ' ALA . 6.3 mt -51.27 -54.73 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -44.85 -52.37 8.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.825 ' O ' HD11 ' A' ' 103' ' ' LEU . 79.6 t80 -63.24 -25.49 68.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.6 m80 -80.82 -20.91 41.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.565 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.579 HG12 HG22 ' A' ' 45' ' ' VAL . 3.9 mt -101.59 148.9 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.02 -175.49 18.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -120.82 33.27 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -179.96 161.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.736 HG23 ' HB ' ' A' ' 130' ' ' VAL . 5.2 mm -92.17 121.51 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 84' ' ' LEU . 8.8 tt -123.49 121.63 36.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.482 ' CG1' HG21 ' A' ' 130' ' ' VAL . 18.2 m -134.18 154.84 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.418 ' HB2' HD22 ' A' ' 107' ' ' LEU . 94.4 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -108.15 106.13 16.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.541 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -90.58 115.38 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.541 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -68.84 126.12 28.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 p -91.81 178.07 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.2 mt -85.94 -22.34 27.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.458 ' HA ' ' NE2' ' A' ' 99' ' ' GLN . 14.8 tp60 -79.93 1.24 28.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 99.35 -46.04 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.38 144.68 56.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.411 ' CG ' ' HG3' ' A' ' 96' ' ' LYS . 1.3 mptt -99.29 125.77 44.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.825 HD11 ' O ' ' A' ' 77' ' ' TYR . 16.8 mt -76.81 155.97 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -109.55 132.39 54.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.55 129.59 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.84 166.06 25.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.044 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 112' ' ' VAL . 28.8 tp -121.12 111.41 17.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -135.68 137.54 41.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 90.2 m-20 60.5 18.72 8.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 3.9 t-20 76.22 11.58 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.81 139.93 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.551 HG22 HD13 ' A' ' 107' ' ' LEU . 88.3 t -96.58 143.76 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.58 153.0 51.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -136.67 104.45 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.1 m120 74.21 35.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt 70.05 25.53 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.833 ' OE1' HD23 ' A' ' 138' ' ' LEU . 3.7 mt-10 -117.31 140.84 27.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -75.01 132.86 15.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 133' ' ' VAL . 93.8 t -91.2 158.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.555 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -89.46 -77.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -131.64 86.04 50.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.85 5.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 t0 69.41 60.21 0.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.75 HD12 HG12 ' A' ' 131' ' ' VAL . 19.5 mt -110.41 92.7 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.86 130.49 43.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -114.06 171.55 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 58.6 p -71.59 -14.34 62.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.31 49.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.782 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 155.32 -173.04 33.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.736 ' HB ' HG23 ' A' ' 83' ' ' ILE . 4.5 p -131.48 170.21 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 1.061 ' CG2' HG23 ' A' ' 11' ' ' VAL . 26.1 t -148.48 153.6 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.587 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 53.5 m-70 -141.05 98.41 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.663 HG23 ' CD1' ' A' ' 124' ' ' ILE . 88.2 t -58.84 120.56 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.2 pt -99.18 171.49 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 120' ' ' ALA . 76.2 p -119.86 22.43 11.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.46 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.6 OUTLIER -169.33 147.64 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.59 HG11 HD11 ' A' ' 56' ' ' LEU . 67.2 t -75.74 114.41 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.833 HD23 ' OE1' ' A' ' 117' ' ' GLU . 17.0 mt -68.11 157.89 34.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -142.91 148.17 44.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.672 HG22 HG22 ' A' ' 127' ' ' THR . 3.7 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.83 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.85 -53.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.748 ' SD ' HD13 ' A' ' 28' ' ' ILE . 8.3 mmm -57.9 -45.73 86.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -57.99 -41.54 83.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.6 -28.99 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 12' ' ' MET . 12.5 mt -81.34 -35.5 30.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.686 ' HG2' HG11 ' A' ' 25' ' ' VAL . 16.4 mttt -69.36 -46.14 67.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.6 -49.91 59.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.18 125.82 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.364 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -73.81 -33.62 64.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -48.81 -39.61 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -107.91 54.74 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.7 p -87.89 -61.41 1.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.953 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.56 -27.79 0.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.5 tp -67.56 -57.92 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.686 HG11 ' HG2' ' A' ' 16' ' ' LYS . 72.4 t -42.87 -52.26 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.16 -47.73 6.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.933 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.2 -46.58 88.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.748 HD13 ' SD ' ' A' ' 12' ' ' MET . 70.3 mt -63.43 -52.8 53.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.87 -43.42 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -43.87 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.13 72.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.43 40.14 7.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 mt -106.99 -16.98 14.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.422 ' OG1' HG22 ' A' ' 28' ' ' ILE . 3.3 m -48.23 -36.82 14.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -55.89 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -55.14 -21.55 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 mt -103.58 8.06 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.83 18.62 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -115.45 148.77 39.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.47 114.98 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.07 -137.78 4.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.8 m -148.18 135.78 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -156.14 117.09 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 m -92.13 105.02 17.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.539 HG13 HG13 ' A' ' 79' ' ' ILE . 3.5 t -108.87 157.4 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 72.8 m-85 -126.81 112.86 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.506 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.87 116.37 59.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.97 -170.8 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.531 1.806 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 2.6 p -94.28 -177.94 4.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -69.83 -48.54 58.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.92 -26.74 64.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -57.93 -59.91 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 50.0 m-85 -60.61 -39.04 86.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -61.27 -22.32 64.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -73.34 -39.48 65.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 mt -45.89 146.16 2.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -2.46 12.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.5 -61.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.09 -42.21 63.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -55.91 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -49.24 -22.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -69.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 HG13 ' A' ' 74' ' ' ILE . 14.7 mt -56.18 -54.51 44.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.73 -20.96 62.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.07 -88.8 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.79 138.62 58.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.246 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.01 -44.35 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.76 -62.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.23 -33.09 67.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.933 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -61.51 -70.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.18 -36.47 19.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -50.71 -54.44 23.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.435 HG13 HD11 ' A' ' 64' ' ' LEU . 31.9 mm -61.24 -52.62 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.837 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.1 mt -50.57 -45.82 57.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -54.52 -50.75 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.426 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 81.2 t80 -70.68 -4.39 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.2 m80 -101.12 -19.77 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.586 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.82 146.51 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -114.81 154.01 17.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.493 ' CG ' ' CD1' ' A' ' 98' ' ' LEU . 5.7 m-20 -94.19 41.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 172.96 160.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.568 HG23 ' CG1' ' A' ' 130' ' ' VAL . 4.4 mm -89.41 136.53 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.649 ' C ' HD23 ' A' ' 84' ' ' LEU . 5.4 tt -139.35 119.76 13.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.539 ' CG1' HG21 ' A' ' 130' ' ' VAL . 15.9 m -137.75 157.01 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.935 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' VAL . 90.8 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -92.96 117.76 30.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 96' ' ' LYS . 1.6 tt -103.84 116.99 33.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.535 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -73.07 110.65 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 154.11 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 98' ' ' LEU . 5.2 mp -63.2 -32.0 73.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.426 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -56.28 -33.57 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.21 -47.03 1.04 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.53 127.96 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 134.16 44.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.4 136.73 32.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.53 130.0 39.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 93' ' ' VAL . 2.5 t -144.48 124.04 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 p -134.32 174.12 10.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.0 tp -128.05 112.14 14.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -137.79 139.75 40.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 10.7 t-20 58.03 17.57 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER 75.92 19.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 t -114.16 148.53 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.32 140.63 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.9 OUTLIER -136.1 153.47 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.642 HG13 HD21 ' A' ' 138' ' ' LEU . 3.1 p -135.72 116.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 14.0 m120 64.15 26.71 13.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.32 35.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 113' ' ' SER . 1.6 mt-10 -126.53 142.73 43.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.09 19.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 133' ' ' VAL . 59.7 t -93.77 146.85 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.703 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -78.39 -65.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.568 ' O ' HD11 ' A' ' 124' ' ' ILE . 9.0 mt-10 -146.86 89.16 5.75 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.5 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.2 Cg_endo -74.98 -177.5 3.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.431 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 9.3 m-20 63.91 65.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.739 ' CD1' HG23 ' A' ' 133' ' ' VAL . 13.1 mt -116.76 93.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.55 125.19 24.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -105.8 -170.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.672 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -94.74 10.65 34.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.401 ' OD1' ' HA ' ' A' ' 10' ' ' THR . 10.4 p-10 176.03 49.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 149.73 -157.17 27.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.568 ' CG1' HG23 ' A' ' 83' ' ' ILE . 9.9 p -142.23 170.1 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.83 ' CG2' HG23 ' A' ' 11' ' ' VAL . 29.3 t -148.83 150.77 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.606 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 84.7 m-70 -139.11 96.86 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.739 HG23 ' CD1' ' A' ' 124' ' ' ILE . 67.7 t -56.99 127.74 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -105.75 170.58 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.597 HG22 ' HB2' ' A' ' 120' ' ' ALA . 13.7 p -115.23 23.9 12.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.55 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -178.1 142.85 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.59 124.96 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.642 HD21 HG13 ' A' ' 114' ' ' VAL . 21.3 mt -73.62 162.49 29.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -141.23 153.99 67.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.018 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.404 ' HB ' ' OD1' ' A' ' 128' ' ' ASN . 80.5 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.998 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -40.69 -51.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.71 ' HG2' HD13 ' A' ' 37' ' ' LEU . 1.9 mmm -61.33 -62.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.8 t0 -46.99 -44.17 19.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 11' ' ' VAL . 2.8 t -47.34 -36.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.485 HD22 ' CB ' ' A' ' 47' ' ' ALA . 7.9 mt -74.63 -34.24 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.573 ' HA ' HG21 ' A' ' 25' ' ' VAL . 3.8 mtpt -64.37 -36.67 84.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.31 -55.7 28.67 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.58 133.25 46.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -77.86 -35.34 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -45.27 -42.95 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -103.72 49.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.1 m -80.97 -67.49 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.2 mtp -40.55 -37.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.616 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.3 tp -60.37 -52.31 65.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.573 HG21 ' HA ' ' A' ' 16' ' ' LYS . 8.0 t -46.77 -59.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -40.09 -43.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -56.48 -60.7 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.677 HG13 HD13 ' A' ' 75' ' ' LEU . 3.2 mt -49.44 -55.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -46.55 52.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -47.25 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.14 -33.23 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.63 36.99 9.87 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 mt -100.31 -22.47 15.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.8 m -44.8 -57.19 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -43.24 -58.17 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -49.13 -54.47 16.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.71 HD13 ' HG2' ' A' ' 12' ' ' MET . 5.4 mt -69.57 -9.1 52.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -81.76 -23.44 36.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -87.39 146.27 25.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.77 151.29 14.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.514 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 150.25 -135.08 5.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 41' ' ' GLY . 2.4 m -154.53 130.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -156.31 117.39 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 m -88.83 107.11 18.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.568 HG13 HG13 ' A' ' 79' ' ' ILE . 5.4 t -109.65 157.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.596 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 94.3 m-85 -127.71 113.7 16.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.497 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.59 116.56 58.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.554 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.1 Cg_endo -75.0 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 p -86.57 -171.9 3.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.66 -44.65 27.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.31 -25.61 68.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -55.02 -64.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.554 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 51.5 m-85 -54.49 -50.39 67.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -23.9 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -70.36 -32.8 70.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -57.14 149.52 45.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.85 13.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.26 -61.4 1.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.16 -44.39 64.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' C ' ' N ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -54.93 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -43.97 -27.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -69.53 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.26 -50.01 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -64.09 -16.56 62.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.47 -88.61 1.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.29 136.85 58.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -82.85 -47.12 12.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -61.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -28.87 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -62.32 -66.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.13 -41.16 62.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.41 -48.54 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.469 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 31.0 mm -67.69 -56.91 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 79' ' ' ILE . 5.7 mt -45.55 -50.4 13.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -49.28 -52.74 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.663 ' O ' HD21 ' A' ' 103' ' ' LEU . 92.9 t80 -64.63 -19.05 65.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -86.47 -20.7 27.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.4 mt -102.09 143.66 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.43 170.76 13.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -112.64 48.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HG2' HD21 ' A' ' 95' ' ' LEU . 2.1 pt-20 170.94 156.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.71 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.8 mm -92.05 108.13 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 84' ' ' LEU . 6.8 tt -120.31 121.99 39.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.223 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.789 HG12 ' HE1' ' A' ' 132' ' ' HIS . 25.6 m -136.71 171.27 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.83 106.41 16.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -88.66 115.84 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.564 ' N ' HD23 ' A' ' 95' ' ' LEU . 35.2 tttt -69.3 122.87 19.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.0 t -98.87 -178.53 3.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 mt -88.73 -45.92 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -48.84 -30.49 5.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.01 -46.23 1.09 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.39 132.28 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.62 133.58 35.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.663 HD21 ' O ' ' A' ' 77' ' ' TYR . 8.3 mt -85.01 134.14 34.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.29 130.22 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.31 125.41 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 p -135.47 178.07 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 111' ' ' VAL . 45.2 tp -135.08 106.51 6.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -129.55 138.27 51.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 15.9 t30 59.98 18.33 7.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 19.3 t30 76.8 14.6 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.557 ' O ' HD12 ' A' ' 107' ' ' LEU . 15.7 t -109.83 150.52 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.2 t -104.17 145.82 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.89 150.76 43.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.489 HG13 HD21 ' A' ' 138' ' ' LEU . 3.4 p -136.71 105.8 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.6 m120 73.97 32.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 71.89 29.04 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.645 ' OE1' HD23 ' A' ' 138' ' ' LEU . 2.6 mt-10 -120.67 140.03 29.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -75.01 135.1 18.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 133' ' ' VAL . 98.8 t -94.08 158.2 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.572 ' HB2' ' CG2' ' A' ' 135' ' ' THR . . . -87.29 -79.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.509 ' O ' HD11 ' A' ' 124' ' ' ILE . 2.6 mm-40 -127.75 85.96 59.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 123' ' ' ASP . 18.4 Cg_endo -74.96 172.95 15.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 8.7 t0 75.92 56.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.77 ' CD1' HG23 ' A' ' 133' ' ' VAL . 14.5 mt -109.84 92.66 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.92 131.22 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -109.31 -176.57 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.9 p -79.85 -10.4 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.404 ' OD1' ' HB ' ' A' ' 10' ' ' THR . 5.9 p-10 -164.82 51.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.47 -167.8 30.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.71 ' HB ' HG23 ' A' ' 83' ' ' ILE . 1.8 p -133.55 170.4 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.998 ' CG2' HG23 ' A' ' 11' ' ' VAL . 30.2 t -147.51 156.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.789 ' HE1' HG12 ' A' ' 85' ' ' VAL . 81.3 m-70 -143.95 99.03 3.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.417 1.073 . . . . 0.0 109.614 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.77 HG23 ' CD1' ' A' ' 124' ' ' ILE . 90.6 t -59.82 122.0 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.3 pt -100.48 171.08 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.572 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 40.7 p -119.09 21.98 12.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.404 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.2 OUTLIER -172.43 138.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.68 121.6 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.645 HD23 ' OE1' ' A' ' 117' ' ' GLU . 16.8 mt -72.26 164.81 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -141.77 157.66 64.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.469 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.508 1.793 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' VAL . 2.9 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.982 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.1 OUTLIER -36.61 -53.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.708 ' SD ' HD13 ' A' ' 28' ' ' ILE . 7.7 mmm -58.87 -51.86 68.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -45.11 67.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.0 -25.63 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.666 HD22 ' CB ' ' A' ' 47' ' ' ALA . 5.7 mt -88.94 -35.32 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HA ' HG21 ' A' ' 25' ' ' VAL . 6.4 mtpt -70.92 -36.06 72.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.55 -43.13 98.5 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.05 129.96 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -73.71 -29.78 62.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.46 -41.83 53.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.9 m-85 -104.17 51.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 p -82.24 -66.23 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 78.5 mtp -40.44 -42.73 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 12.1 tp -56.43 -57.88 10.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 21' ' ' PHE . 36.7 t -41.01 -56.11 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.98 -49.78 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.364 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.886 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -49.73 -51.14 41.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.708 HD13 ' SD ' ' A' ' 12' ' ' MET . 68.3 mt -64.11 -62.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.71 -41.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -44.14 51.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . -61.67 -30.36 70.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.67 31.64 29.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -93.57 -20.99 19.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.476 ' OG1' HG22 ' A' ' 28' ' ' ILE . 17.4 m -43.69 -62.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.3 -61.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 m -45.43 -60.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.424 HD21 HG21 ' A' ' 79' ' ' ILE . 16.4 mt -62.75 -13.87 37.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.1 m-20 -91.54 21.24 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -127.91 143.38 51.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -55.48 139.08 44.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.51 -139.0 6.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 HG12 ' A' ' 83' ' ' ILE . 3.7 m -143.41 130.23 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.489 ' H ' HD11 ' A' ' 83' ' ' ILE . 63.6 m-85 -156.44 116.11 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.3 m -93.96 100.83 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.743 HG13 HG13 ' A' ' 79' ' ' ILE . 3.1 t -102.82 156.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.606 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 81.0 m-85 -129.23 110.76 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.666 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -104.01 116.68 61.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.3 Cg_endo -75.0 -163.18 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -101.04 -163.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -82.88 -50.65 8.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.35 -11.46 42.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -68.91 -48.07 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 31.1 m-85 -68.3 -45.31 73.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -51.01 -25.18 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -66.75 -37.76 85.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.767 HD11 HG11 ' A' ' 137' ' ' VAL . 35.1 mt -53.64 150.0 14.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.4 Cg_endo -74.94 162.04 37.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.92 7.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.496 ' O ' ' CD ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -97.91 -33.69 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.568 ' OE2' HD22 ' A' ' 56' ' ' LEU . 1.2 tt0 -94.8 -29.62 14.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -50.41 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.8 t -55.36 -45.34 76.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -44.29 -63.95 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.04 -50.31 66.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.97 -14.92 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -96.0 -87.83 1.78 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.68 128.64 37.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -81.77 -44.99 16.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.18 -57.98 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.65 -27.56 69.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.886 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.1 tt -67.03 -70.0 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.26 -35.22 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -55.27 -51.13 67.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 20.6 mm -63.48 -45.75 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.656 HD13 HG12 ' A' ' 28' ' ' ILE . 18.2 mt -58.58 -42.58 88.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -52.61 -49.71 64.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.789 ' O ' HD21 ' A' ' 103' ' ' LEU . 86.8 t80 -66.09 -17.2 64.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 13.8 m80 -89.9 -24.28 21.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.609 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.743 HG13 HG13 ' A' ' 45' ' ' VAL . 3.7 mt -101.52 144.06 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.22 174.79 16.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -111.37 38.88 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.7 pt-20 173.45 157.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.596 HD12 HG12 ' A' ' 130' ' ' VAL . 10.1 mm -89.58 130.52 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.685 ' C ' HD23 ' A' ' 84' ' ' LEU . 3.0 tt -136.63 119.71 16.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.654 ' N ' HD23 ' A' ' 84' ' ' LEU . 19.6 m -136.42 152.78 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.528 ' HB2' HD22 ' A' ' 107' ' ' LEU . 16.3 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.957 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 84' ' ' LEU . 99.5 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -88.49 117.59 27.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.652 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -107.53 124.94 50.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.652 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -77.93 128.28 33.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -99.45 178.85 4.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.0 mt -86.85 -33.21 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -18.85 57.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.337 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 113.83 -37.42 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.24 141.36 43.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.93 123.79 35.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.789 HD21 ' O ' ' A' ' 77' ' ' TYR . 3.0 mt -78.32 141.63 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -97.08 132.43 42.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 93' ' ' VAL . 3.0 t -139.04 122.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -133.24 167.93 19.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.595 HD13 HG22 ' A' ' 112' ' ' VAL . 21.3 tp -123.6 111.76 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -135.28 138.31 43.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 4.6 m120 58.94 18.72 6.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.4 t-20 75.81 16.47 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.5 t -111.18 141.47 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.595 HG22 HD13 ' A' ' 107' ' ' LEU . 87.8 t -97.97 141.43 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.7 OUTLIER -135.44 154.86 51.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 5.2 p -137.38 104.12 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.455 HD22 ' HB3' ' A' ' 103' ' ' LEU . 2.1 m120 76.95 33.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.1 mttp 71.34 24.97 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.479 ' OE1' HD23 ' A' ' 138' ' ' LEU . 2.2 mt-10 -116.87 140.87 27.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -74.98 133.1 16.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 133' ' ' VAL . 71.0 t -87.8 156.26 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.608 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -86.99 -73.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.503 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.8 mt-10 -137.79 86.84 17.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.153 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 t70 74.13 55.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.711 ' CD1' HG23 ' A' ' 133' ' ' VAL . 11.1 mt -110.85 92.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -73.02 137.61 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.4 -166.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.434 ' OG1' HG22 ' A' ' 10' ' ' THR . 9.7 p -85.99 -2.85 58.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -178.89 44.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.239 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 166.82 -170.72 41.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.596 HG12 HD12 ' A' ' 83' ' ' ILE . 1.1 p -135.93 169.97 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.982 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.5 t -148.85 151.09 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.606 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 86.5 m-70 -138.28 96.78 3.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.625 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.711 HG23 ' CD1' ' A' ' 124' ' ' ILE . 86.5 t -56.75 124.55 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.1 pt -101.98 170.75 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.546 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 35.4 p -119.79 36.57 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.462 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 135' ' ' THR . 0.5 OUTLIER 172.82 150.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 56' ' ' LEU . 71.9 t -75.96 120.54 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 15.7 mt -73.53 160.53 31.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -137.11 150.32 68.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.445 1.76 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.86 HG22 HG22 ' A' ' 127' ' ' THR . 18.0 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.825 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.64 -56.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.697 ' SD ' HD13 ' A' ' 28' ' ' ILE . 10.5 mmm -49.22 -51.99 29.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -55.48 -50.7 69.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -45.25 -26.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 12' ' ' MET . 12.0 mt -84.81 -41.52 16.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.933 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.9 mttt -58.79 -50.03 75.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.33 -45.31 65.42 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.12 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.65 128.21 34.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -74.39 -45.93 43.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -39.76 -40.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -108.42 54.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.79 -61.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -22.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 10.6 tp -70.4 -58.14 4.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.933 HG11 ' HG2' ' A' ' 16' ' ' LYS . 86.8 t -43.18 -51.23 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.1 -42.86 9.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.922 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.92 -54.8 41.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.828 HD12 ' HA ' ' A' ' 25' ' ' VAL . 3.9 mt -53.47 -54.65 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -56.47 9.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -44.42 95.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.08 71.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.73 38.31 8.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.47 -26.96 12.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.582 HG22 ' ND2' ' A' ' 38' ' ' ASN . 16.5 m -40.56 -50.97 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.7 mm-40 -49.25 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -47.41 -53.94 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.54 -15.83 63.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.582 ' ND2' HG22 ' A' ' 34' ' ' THR . 3.9 m-20 -90.57 18.12 6.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -122.33 140.95 52.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.39 140.4 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 153.56 -134.68 4.48 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG1' HG12 ' A' ' 83' ' ' ILE . 7.3 m -151.5 130.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -156.02 116.86 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 80' ' ' GLY . 17.8 m -92.04 109.81 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 79' ' ' ILE . 3.6 t -112.24 157.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 92.1 m-85 -127.86 113.79 16.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.485 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.64 116.88 59.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.2 Cg_endo -75.05 177.47 8.56 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 23.0 p -81.2 -176.45 5.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.65 -49.24 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -14.79 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.42 -54.75 17.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 67.0 m-85 -64.57 -46.15 84.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -51.69 -25.09 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -70.82 -45.99 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 HG11 ' A' ' 137' ' ' VAL . 13.8 mt -44.12 138.22 3.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -75.01 174.75 12.26 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -13.17 21.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.94 -39.89 15.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.3 -16.94 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HG2' ' CD1' ' A' ' 65' ' ' LEU . 3.8 mtp180 -67.6 -77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.1 t -54.09 -21.92 9.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -46.41 85.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.3 mt -97.26 -46.74 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.414 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 25.7 mt -60.16 -28.7 68.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -87.59 -81.71 1.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.69 126.69 28.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.71 -47.56 30.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -40.77 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.21 -33.41 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.922 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -56.56 -70.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.59 -37.09 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -52.24 -48.06 65.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 25.8 mm -67.79 -51.25 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 79' ' ' ILE . 8.9 mt -52.07 -45.05 64.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -53.28 -53.94 43.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -66.7 -8.41 27.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.9 m80 -96.8 -20.34 18.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.609 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.43 145.69 11.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -113.14 162.06 12.48 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -104.44 44.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.452 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.9 pt-20 171.5 159.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.47 HG12 ' CG1' ' A' ' 42' ' ' VAL . 3.3 mm -89.74 131.98 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.64 HD11 ' CG1' ' A' ' 93' ' ' VAL . 4.4 tt -134.31 119.64 18.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -127.38 153.83 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 84' ' ' LEU . 4.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.1 mtm-85 -114.89 107.36 15.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 96' ' ' LYS . 2.0 tt -88.49 120.6 30.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.516 ' N ' HD23 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -78.76 109.65 13.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 t -84.59 155.71 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 98' ' ' LEU . 5.1 mp -62.44 -39.42 93.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.0 -35.91 26.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.84 -46.61 1.07 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.03 130.0 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.411 ' CG ' ' HG3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -75.3 133.75 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.34 134.61 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.74 130.1 36.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -142.96 125.02 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 p -140.7 167.94 20.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.478 HD13 HG22 ' A' ' 112' ' ' VAL . 24.1 tp -121.41 112.88 19.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -136.61 136.67 39.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.0 m120 59.39 19.22 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 3.3 t30 75.01 17.3 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.21 139.53 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.478 HG22 HD13 ' A' ' 107' ' ' LEU . 71.4 t -100.01 146.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.82 154.95 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.407 HG22 ' ND2' ' A' ' 115' ' ' ASN . 4.4 p -136.59 130.72 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.528 HD22 HD22 ' A' ' 138' ' ' LEU . 36.3 m-20 52.8 24.48 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.48 41.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.562 ' OE2' HD23 ' A' ' 138' ' ' LEU . 2.5 mt-10 -133.52 146.81 62.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.09 19.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 133' ' ' VAL . 73.1 t -94.54 151.13 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.683 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -82.6 -68.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.512 ' O ' HD11 ' A' ' 124' ' ' ILE . 2.0 mt-10 -144.58 87.67 7.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.498 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.5 Cg_endo -74.97 179.5 6.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.401 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 6.6 t0 74.11 58.94 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.348 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.72 ' CD1' HG23 ' A' ' 133' ' ' VAL . 11.1 mt -116.36 93.05 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.93 130.46 39.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.403 ' HB1' ' N ' ' A' ' 11' ' ' VAL . . . -104.18 -166.57 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.86 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -87.11 -1.99 58.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -174.62 45.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 161.22 -163.62 34.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 83' ' ' ILE . 1.4 p -138.18 170.26 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.825 ' CG2' HG23 ' A' ' 11' ' ' VAL . 19.6 t -148.35 153.46 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 81.6 m-70 -141.16 101.82 4.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.72 HG23 ' CD1' ' A' ' 124' ' ' ILE . 93.9 t -59.99 127.51 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -106.08 170.89 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.455 HG22 ' HB2' ' A' ' 120' ' ' ALA . 68.9 p -118.16 36.03 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.589 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.9 OUTLIER 174.67 154.17 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.586 HG11 HD11 ' A' ' 56' ' ' LEU . 88.5 t -82.02 109.58 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 19.2 mt -60.3 161.58 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -140.07 155.75 70.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 1.021 HG22 ' OG1' ' A' ' 127' ' ' THR . 26.1 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.9 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -36.96 -55.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.701 ' SD ' HD13 ' A' ' 28' ' ' ILE . 14.5 mmm -54.93 -62.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 16' ' ' LYS . 33.4 t0 -47.27 -50.1 22.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.86 -30.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.567 HD22 ' CB ' ' A' ' 47' ' ' ALA . 11.8 mt -81.66 -42.67 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.824 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.4 mttt -58.13 -48.27 80.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.55 -52.09 47.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.16 125.52 28.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.95 -43.02 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.71 -37.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -113.98 55.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 23' ' ' MET . 4.6 p -89.0 -62.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.45 ' N ' ' OG ' ' A' ' 22' ' ' SER . 78.8 mtp -47.55 -25.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.591 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.9 tp -68.44 -54.24 18.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.824 HG11 ' HG2' ' A' ' 16' ' ' LYS . 70.7 t -44.69 -58.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.72 -44.13 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.767 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -57.23 -48.7 78.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 25' ' ' VAL . 4.8 mt -61.83 -64.86 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.08 -52.33 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -46.99 87.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -60.54 -33.16 72.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.74 41.31 7.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.491 ' HB2' HG23 ' A' ' 28' ' ' ILE . 9.0 mt -103.96 -21.63 13.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' ASN . 5.0 m -40.48 -65.39 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.47 -59.65 0.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -45.94 -60.9 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.51 -11.96 39.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.2 OUTLIER -91.28 21.21 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -129.41 139.09 51.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.3 148.08 12.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.61 -130.53 3.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 83' ' ' ILE . 5.5 m -148.19 130.22 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.68 ' H ' HD11 ' A' ' 83' ' ' ILE . 64.3 m-85 -156.46 115.65 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 m -93.71 102.73 14.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 79' ' ' ILE . 3.4 t -107.81 151.63 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 89.6 m-85 -124.42 114.01 18.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.567 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -106.35 117.1 58.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.488 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.09 -175.52 2.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 52' ' ' ALA . 45.0 p -76.85 -169.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.342 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -82.97 -47.37 11.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.19 -15.41 62.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB1' ' HA ' ' A' ' 136' ' ' ASN . . . -57.28 -33.0 67.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -81.03 -44.27 18.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -53.93 -24.61 16.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.44 -38.5 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.537 HD11 HG21 ' A' ' 137' ' ' VAL . 87.9 mt -51.65 140.45 27.53 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.4 31.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.45 8.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.802 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.52 -40.95 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.61 -46.94 6.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -60.21 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.3 t -51.18 -63.75 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -37.38 -59.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.247 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mt -44.46 -59.63 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.31 -25.74 67.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -78.35 -92.54 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.79 136.5 58.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.64 -46.28 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -59.21 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.48 -36.63 74.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.767 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -58.0 -70.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.524 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -47.19 -34.15 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -54.44 -48.98 71.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.1 mm -66.58 -49.26 76.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 78' ' ' HIS . 12.9 mt -54.24 -50.9 66.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -45.7 -51.22 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.885 ' O ' HD11 ' A' ' 103' ' ' LEU . 88.3 t80 -64.34 -24.06 67.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 11.1 m80 -81.8 -21.69 37.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.517 HG13 HG13 ' A' ' 45' ' ' VAL . 4.2 mt -101.3 142.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.59 170.05 13.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -106.35 41.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 173.04 158.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.68 HD11 ' H ' ' A' ' 43' ' ' TYR . 16.6 mm -93.54 123.14 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 84' ' ' LEU . 9.0 tt -130.14 119.69 23.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' CG1' HG21 ' A' ' 130' ' ' VAL . 18.6 m -131.15 165.86 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -108.92 106.75 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -94.9 115.29 27.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.57 ' N ' HD23 ' A' ' 95' ' ' LEU . 33.5 tttt -71.79 126.01 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 p -91.81 146.59 23.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 98' ' ' LEU . 6.5 mp -56.1 -31.25 63.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -62.93 -27.3 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.71 -47.15 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.34 141.01 57.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 126.17 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.885 HD11 ' O ' ' A' ' 77' ' ' TYR . 16.8 mt -81.81 152.77 26.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -106.16 130.15 54.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -141.54 128.17 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 p -140.75 171.99 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.1 tp -128.51 106.08 8.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.25 141.84 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 33.0 t30 56.07 19.07 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 12.3 t30 75.72 14.31 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.3 t -107.13 150.15 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.9 t -111.83 135.88 49.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.24 148.23 52.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.88 105.91 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.444 HD22 ' HB3' ' A' ' 103' ' ' LEU . 3.0 m120 73.88 29.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.83 27.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -120.06 143.85 36.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 133.08 16.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 133' ' ' VAL . 79.2 t -89.51 151.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.657 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -79.42 -67.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.425 ' O ' HD11 ' A' ' 124' ' ' ILE . 3.0 mt-10 -148.46 86.71 5.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.528 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.95 175.64 10.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 3.3 t70 77.69 59.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.806 HD11 HG23 ' A' ' 133' ' ' VAL . 12.3 mt -115.53 92.22 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.6 mmm -65.43 141.6 58.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -122.84 175.01 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . 1.021 ' OG1' HG22 ' A' ' 10' ' ' THR . 34.1 p -59.59 -29.75 68.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.65 43.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 176.96 -172.57 45.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.577 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -135.13 169.75 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.9 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.2 t -149.09 147.86 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 75.5 m-70 -135.66 97.98 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.554 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.806 HG23 HD11 ' A' ' 124' ' ' ILE . 61.4 t -57.18 126.04 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.77 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.7 pt -101.74 166.95 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.8 p -83.76 -29.11 27.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.77 ' O ' HD12 ' A' ' 134' ' ' ILE . 5.6 m-80 -149.75 170.61 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 56' ' ' LEU . 41.2 t -73.05 130.9 35.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 23.2 mt -74.41 172.16 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -144.84 147.81 36.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.765 HG22 HG22 ' A' ' 127' ' ' THR . 5.8 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.786 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.8 -56.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.483 ' HA ' HD12 ' A' ' 15' ' ' LEU . 19.2 mmm -52.89 -47.07 68.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.92 -45.66 89.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.96 -27.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 12' ' ' MET . 13.0 mt -84.11 -43.47 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.719 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.0 mttt -61.33 -42.21 98.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.62 -47.96 88.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -75.03 128.33 35.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -76.32 -36.29 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.8 -33.31 7.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -115.24 56.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 p -88.76 -66.39 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -33.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.4 tp -60.54 -60.42 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.719 HG11 ' HG2' ' A' ' 16' ' ' LYS . 83.9 t -41.0 -53.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.74 -51.74 5.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.981 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -52.58 -44.8 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.72 HG12 HD13 ' A' ' 75' ' ' LEU . 26.0 mt -68.38 -50.91 52.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -40.66 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -43.08 27.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -61.44 -32.86 72.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.69 44.37 7.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mt -108.45 -19.83 13.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' ASN . 18.4 m -47.75 -54.72 11.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -57.71 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -49.41 -53.8 20.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 13.2 mt -68.51 -12.24 60.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -93.91 24.83 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -124.41 140.75 52.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -55.67 114.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.93 -138.68 4.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.7 m -148.76 131.8 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -155.97 117.53 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 80' ' ' GLY . 7.5 m -89.61 110.83 21.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.616 HG13 HG13 ' A' ' 79' ' ' ILE . 5.2 t -113.39 157.83 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 87.9 m-85 -127.35 115.28 18.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.469 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.36 116.75 57.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.522 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.03 -174.9 2.11 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.0 p -95.08 -176.48 3.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -71.95 -42.17 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.63 -13.88 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -74.44 -62.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.522 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 57.7 m-85 -57.93 -39.78 78.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -25.8 64.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -70.21 -42.19 72.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.641 HD11 HG11 ' A' ' 137' ' ' VAL . 17.0 mt -48.0 140.23 9.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.03 173.92 13.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -6.54 18.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.7 -49.63 5.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -18.41 62.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.452 ' HG2' ' CD1' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -67.25 -73.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.3 t -55.34 -27.52 47.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -50.75 66.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.7 mt -90.2 -47.34 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.452 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 34.0 mt -60.18 -15.48 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -91.65 -93.32 1.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.19 132.14 52.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.92 -39.6 55.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -45.25 -56.91 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -40.39 95.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.981 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -52.96 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.401 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -48.1 -41.82 27.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -48.57 -50.41 32.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.443 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.7 mm -63.43 -49.25 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.72 HD13 HG12 ' A' ' 28' ' ' ILE . 12.3 mt -53.77 -45.63 70.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -51.57 -54.35 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.471 ' O ' HD11 ' A' ' 103' ' ' LEU . 71.8 t80 -64.57 -13.08 51.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -92.84 -21.4 19.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.7 mt -101.92 145.9 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -112.82 178.64 18.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -118.79 43.6 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 0.728 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 174.22 159.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.707 HG23 ' HB ' ' A' ' 130' ' ' VAL . 5.5 mm -93.03 114.46 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 tt -119.66 120.18 35.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.4 m -128.54 154.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.638 ' HB2' HD22 ' A' ' 107' ' ' LEU . 22.5 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -109.21 105.78 15.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.565 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -89.2 115.33 26.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.565 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -69.94 124.13 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.6 t -97.56 178.65 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.975 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.05 -48.52 9.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -44.75 -32.22 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.92 -46.67 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.91 137.22 57.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.37 134.35 36.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.471 HD11 ' O ' ' A' ' 77' ' ' TYR . 61.9 mt -88.45 139.52 30.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -99.36 130.73 45.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 t -141.12 125.56 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 p -133.12 177.58 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.955 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 86' ' ' SER . 29.3 tp -145.19 107.96 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -134.44 144.97 48.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.423 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 92.4 m-20 56.64 19.32 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 0.7 OUTLIER 77.16 13.26 2.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 t -107.53 138.15 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.9 t -100.82 143.29 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.85 151.51 50.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.438 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 7.0 p -138.45 105.61 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 4.0 m-20 74.61 28.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 74.8 27.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.68 144.15 38.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.33 17.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 133' ' ' VAL . 68.4 t -90.88 149.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.727 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.33 -66.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.494 ' O ' HD11 ' A' ' 124' ' ' ILE . 5.3 mm-40 -146.66 88.09 6.17 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.511 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -74.99 179.79 5.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.4 t0 71.69 48.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.813 ' CD1' HG23 ' A' ' 133' ' ' VAL . 20.7 mt -101.25 93.07 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.32 127.12 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.08 -170.33 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.765 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -93.72 3.82 54.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 9.8 p-10 -173.57 51.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.96 -161.29 27.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.707 ' HB ' HG23 ' A' ' 83' ' ' ILE . 6.4 p -137.8 169.84 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.786 ' CG2' HG23 ' A' ' 11' ' ' VAL . 40.6 t -146.82 157.78 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.58 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 70.5 m-70 -145.05 99.85 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.813 HG23 ' CD1' ' A' ' 124' ' ' ILE . 94.3 t -58.31 131.78 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -109.58 170.99 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 45.0 p -118.66 30.38 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.429 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER 179.73 153.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.641 HG11 HD11 ' A' ' 56' ' ' LEU . 90.7 t -79.44 110.41 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 12.3 mt -62.87 163.85 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -142.46 154.38 63.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.443 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.848 HG22 ' OG1' ' A' ' 127' ' ' THR . 18.9 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.793 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.4 OUTLIER -41.88 -52.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 28' ' ' ILE . 7.7 mmm -63.86 -57.35 10.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' LYS . 45.6 m-20 -47.6 -47.17 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -43.54 -36.67 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -74.41 -41.75 60.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.6 mttt -61.45 -44.15 97.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.22 -60.43 7.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -69.32 128.32 36.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.243 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' ARG . 5.5 m120 -72.82 -38.69 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' ASN . 5.8 mtp180 -38.09 -41.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.7 m-85 -111.42 48.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 p -85.12 -31.13 23.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -36.89 63.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.1 tp -59.45 -51.87 68.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.559 HG11 ' HG2' ' A' ' 16' ' ' LYS . 79.5 t -45.35 -52.5 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.67 -44.42 6.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 1.053 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -62.69 -44.68 95.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.501 HG21 ' SD ' ' A' ' 12' ' ' MET . 48.4 mt -65.1 -47.8 86.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.18 -47.33 81.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -43.93 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.81 -29.57 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.03 37.82 17.51 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mt -100.9 -25.86 13.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.805 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.424 ' OG1' HG22 ' A' ' 28' ' ' ILE . 2.5 m -46.92 -41.13 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.12 -53.93 52.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -53.28 -44.68 68.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.443 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 8.6 mt -77.73 -6.04 52.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -81.6 -33.78 31.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -80.85 138.8 36.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -47.13 162.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.521 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 139.54 -134.97 6.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 41' ' ' GLY . 2.8 m -155.01 130.67 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 0.725 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -156.7 116.14 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 m -87.44 113.72 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.453 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 79' ' ' ILE . 3.5 t -116.9 156.52 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 97.6 m-85 -129.29 115.11 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.48 116.92 58.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.519 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -74.95 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.497 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.0 p -81.29 176.7 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.77 -41.8 74.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.56 -13.35 60.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -70.31 -57.18 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 63.8 m-85 -63.1 -32.63 74.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -64.45 -27.87 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.09 -39.66 75.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD11 HG11 ' A' ' 137' ' ' VAL . 12.3 mt -48.49 139.72 10.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.97 167.53 26.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -1.84 11.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.31 -39.51 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 6.4 tt0 -93.1 -12.01 31.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -75.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 2.0 t -54.34 -20.01 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.061 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -55.35 35.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.2 mt -84.01 -45.63 12.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.47 -17.28 53.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -99.32 -81.14 1.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.73 136.79 58.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.3 -48.34 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -69.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -50.28 -33.37 19.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.053 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -58.45 -70.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.2 -37.46 54.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' OD1' ' NE2' ' A' ' 99' ' ' GLN . 4.8 t-20 -50.56 -46.76 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.93 -53.82 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 6.6 mt -49.05 -48.72 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -51.35 -45.45 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.645 ' O ' HD11 ' A' ' 103' ' ' LEU . 74.7 t80 -69.81 -18.91 63.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 14.1 m80 -89.18 -20.13 24.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.452 HG12 HG22 ' A' ' 45' ' ' VAL . 7.5 mt -101.77 144.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.93 174.53 15.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -110.41 39.1 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 172.42 164.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 83' ' ' ILE . 3.7 mm -89.69 138.49 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.407 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 4.0 tt -145.19 119.87 9.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.711 HG12 ' CE1' ' A' ' 132' ' ' HIS . 22.0 m -137.88 -179.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.62 ' HB2' HD22 ' A' ' 107' ' ' LEU . 78.5 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -114.53 111.27 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -97.3 123.0 40.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.673 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -72.8 132.86 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.8 t -103.69 149.46 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.02 -31.31 69.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.448 ' NE2' ' OD1' ' A' ' 73' ' ' ASN . 1.5 tt0 -65.1 -28.25 69.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 124.82 -45.86 1.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 97' ' ' SER . 2.4 m-20 -66.65 136.89 56.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 132.84 34.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.645 HD11 ' O ' ' A' ' 77' ' ' TYR . 22.0 mt -89.04 142.77 27.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -97.18 130.18 44.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.44 124.81 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 p -136.01 170.84 15.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.62 HD22 ' HB2' ' A' ' 86' ' ' SER . 46.0 tp -129.31 110.59 12.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -137.3 139.42 40.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 57.2 19.13 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 74.91 20.44 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 t -112.09 141.5 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.25 136.93 35.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.61 148.08 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.575 HG13 HD21 ' A' ' 138' ' ' LEU . 7.1 p -132.14 106.31 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.464 HD22 HD22 ' A' ' 103' ' ' LEU . 4.1 m120 73.71 31.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.77 28.91 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -121.61 143.4 37.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.66 18.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.76 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 133' ' ' VAL . 71.5 t -90.09 153.26 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.612 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -80.41 -71.63 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -142.95 86.58 9.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 132' ' ' HIS . 18.2 Cg_endo -74.99 177.82 8.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.771 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.457 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 4.8 t70 77.02 57.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.778 HD11 HG23 ' A' ' 133' ' ' VAL . 12.8 mt -112.68 92.14 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.09 133.52 49.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.454 ' HB1' ' N ' ' A' ' 11' ' ' VAL . . . -115.94 -170.35 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.848 ' OG1' HG22 ' A' ' 10' ' ' THR . 71.4 p -79.88 -28.03 39.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.07 54.08 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.35 -163.97 32.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 131' ' ' VAL . 2.0 p -142.87 169.86 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.793 ' CG2' HG23 ' A' ' 11' ' ' VAL . 26.2 t -144.83 152.58 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.711 ' CE1' HG12 ' A' ' 85' ' ' VAL . 90.8 m-70 -139.44 98.26 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.584 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.778 HG23 HD11 ' A' ' 124' ' ' ILE . 58.4 t -57.32 129.52 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.0 OUTLIER -106.1 171.32 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 120' ' ' ALA . 2.0 p -113.25 5.0 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.529 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -151.71 164.45 36.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.42 HG11 HD11 ' A' ' 56' ' ' LEU . 77.4 t -92.21 100.53 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.575 HD21 HG13 ' A' ' 114' ' ' VAL . 31.6 mt -48.66 160.49 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -141.07 152.82 66.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.909 HG22 ' OG1' ' A' ' 127' ' ' THR . 4.9 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.669 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.1 -56.15 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.711 ' SD ' HD13 ' A' ' 28' ' ' ILE . 19.5 mmm -61.79 -53.55 54.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.414 ' HB2' ' N ' ' A' ' 10' ' ' THR . 17.1 m-20 -49.31 -44.43 44.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.405 1.066 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -51.22 -36.98 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 47' ' ' ALA . 12.0 mt -74.23 -38.63 63.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.86 ' HG2' HG11 ' A' ' 25' ' ' VAL . 16.3 mttt -63.68 -40.72 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.56 -52.69 51.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.23 132.15 45.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -79.81 -34.23 39.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.96 -38.52 51.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.541 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.6 m-85 -107.5 43.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.4 p -77.79 -60.29 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -39.08 11.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.699 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.8 tp -57.69 -54.76 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.86 HG11 ' HG2' ' A' ' 16' ' ' LYS . 71.3 t -44.81 -58.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.17 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.762 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -64.44 -51.01 65.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 25' ' ' VAL . 4.0 mt -58.63 -49.97 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -47.85 72.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -47.59 79.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.14 73.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.34 35.62 8.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.3 -19.77 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.55 ' N ' HG22 ' A' ' 28' ' ' ILE . 1.1 m -51.94 -26.25 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.86 -53.99 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -55.09 -31.56 61.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.48 -0.3 57.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -91.04 -26.0 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -86.48 142.76 28.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -56.22 159.81 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.74 -131.58 4.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 83' ' ' ILE . 2.9 m -150.76 130.1 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.513 ' H ' HD11 ' A' ' 83' ' ' ILE . 61.8 m-85 -156.86 116.39 3.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -93.54 102.26 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.466 HG13 HG13 ' A' ' 79' ' ' ILE . 3.0 t -104.55 156.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 84.8 m-85 -130.32 113.45 14.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.489 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -105.0 116.8 60.1 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.01 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.544 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.2 p -97.52 176.57 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -44.1 83.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -17.98 63.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -67.24 -61.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.562 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 66.3 m-85 -59.33 -33.53 71.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -63.41 -26.72 68.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.38 -43.93 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.679 HD11 HG11 ' A' ' 137' ' ' VAL . 12.2 mt -43.84 143.5 1.69 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.05 163.2 35.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 0.32 9.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.02 -33.2 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' OE2' HD22 ' A' ' 56' ' ' LEU . 3.7 tt0 -95.83 -16.7 21.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -74.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' GLY . 5.2 t -52.03 -21.57 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -63.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.7 mt -71.19 -47.9 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.08 -16.54 45.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -98.62 -84.61 1.79 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.16 129.35 39.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.87 -47.25 26.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -55.48 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.01 -46.0 91.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.356 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.762 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -49.62 -65.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -50.97 -49.42 60.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' ALA . 1.5 t-20 -40.09 -46.37 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.431 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 25.5 mm -69.76 -58.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.756 ' O ' HD12 ' A' ' 79' ' ' ILE . 9.6 mt -44.46 -48.05 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -52.17 -53.09 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.573 ' O ' HD11 ' A' ' 103' ' ' LEU . 74.5 t80 -64.38 -11.43 32.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 7.0 m80 -93.75 -23.01 18.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 75' ' ' LEU . 2.6 mt -101.6 144.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.39 165.98 12.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -100.24 36.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.421 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.4 pt-20 177.13 158.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.515 HG12 HG12 ' A' ' 42' ' ' VAL . 13.1 mm -90.34 132.42 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 5.1 tt -132.9 119.37 20.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 m -127.87 145.18 35.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.766 ' HB2' HD22 ' A' ' 107' ' ' LEU . 89.6 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -120.18 110.11 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -92.94 117.53 30.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.594 ' N ' HD23 ' A' ' 95' ' ' LEU . 8.5 ttpt -73.05 123.1 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -94.05 177.65 5.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.47 -44.96 13.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -51.08 -29.89 14.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.43 -45.93 1.12 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.5 133.39 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 135.36 33.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.573 HD11 ' O ' ' A' ' 77' ' ' TYR . 17.0 mt -90.16 146.75 24.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -103.18 130.01 50.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.8 123.65 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.14 176.77 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.024 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.766 HD22 ' HB2' ' A' ' 86' ' ' SER . 15.5 tp -131.44 107.77 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -136.79 144.37 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.4 t30 55.71 19.22 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.2 16.28 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 107' ' ' LEU . 8.8 t -108.53 158.83 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.404 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 59.8 t -120.22 144.3 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.4 151.17 43.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.2 p -138.83 103.52 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 2.8 m-20 76.37 33.26 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 2.0 mtmt 69.06 29.88 4.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 118' ' ' PRO . 1.2 mt-10 -122.76 142.27 37.34 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -74.99 135.61 19.33 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 133' ' ' VAL . 73.0 t -90.53 146.83 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.808 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -76.27 -64.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.48 ' O ' HD11 ' A' ' 124' ' ' ILE . 0.8 OUTLIER -150.34 88.37 4.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.483 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.2 Cg_endo -75.02 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 3.2 t0 76.64 60.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.676 HD12 HG12 ' A' ' 131' ' ' VAL . 10.8 mt -116.22 92.74 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.28 137.63 54.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.83 -166.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.909 ' OG1' HG22 ' A' ' 10' ' ' THR . 74.6 p -81.32 -23.39 37.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.61 43.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.17 -168.36 41.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.486 HG12 HD12 ' A' ' 83' ' ' ILE . 1.3 p -137.37 170.52 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 124' ' ' ILE . 23.7 t -147.22 150.17 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.591 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 83.9 m-70 -138.71 97.13 3.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.808 HG12 ' HB3' ' A' ' 120' ' ' ALA . 76.4 t -55.45 134.44 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -111.3 171.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 73.3 p -120.11 32.54 5.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 176.36 144.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.679 HG11 HD11 ' A' ' 56' ' ' LEU . 82.4 t -71.47 116.82 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 26.7 mt -68.51 155.17 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -135.95 151.53 74.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.431 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.963 HG22 ' OG1' ' A' ' 127' ' ' THR . 5.2 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.712 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.37 -60.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.649 ' SD ' HG21 ' A' ' 28' ' ' ILE . 11.9 mmm -53.39 -43.53 67.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -62.27 -48.43 79.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.8 t -45.94 -27.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 47' ' ' ALA . 7.1 mt -86.17 -41.94 14.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.764 ' HG2' HG11 ' A' ' 25' ' ' VAL . 13.3 mttt -63.56 -49.43 73.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.0 -56.24 12.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -71.79 131.75 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -75.06 -37.38 61.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -42.02 -40.42 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.0 m-85 -109.71 50.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 p -80.94 -56.13 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.68 -47.47 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.576 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.4 tp -47.98 -53.38 16.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.764 HG11 ' HG2' ' A' ' 16' ' ' LYS . 76.1 t -46.59 -55.78 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.19 -41.29 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.86 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -61.94 -49.41 76.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.649 HG21 ' SD ' ' A' ' 12' ' ' MET . 7.1 mt -64.86 -42.72 95.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -43.56 94.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -45.08 64.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -59.97 -33.0 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.12 39.45 9.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mt -101.47 -21.31 14.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' ASN . 8.6 m -44.44 -57.54 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -41.84 -61.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -46.69 -58.46 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 21.3 mt -63.97 -12.52 38.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.4 m-20 -91.36 17.78 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -127.64 141.69 51.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.65 152.87 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.701 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 143.78 -127.58 3.07 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.701 HG13 ' O ' ' A' ' 41' ' ' GLY . 1.3 m -160.71 130.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -156.49 116.92 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 m -91.02 106.13 18.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 79' ' ' ILE . 3.2 t -109.14 157.7 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 96.6 m-85 -130.16 113.04 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.643 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -104.98 117.2 59.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.54 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -75.0 -171.33 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.4 p -91.83 -173.14 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -76.71 -44.34 33.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -20.26 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.247 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -60.79 -52.8 63.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.54 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 55.9 m-85 -67.28 -29.19 68.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -65.48 -27.7 68.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.98 75.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 HG11 ' A' ' 137' ' ' VAL . 10.7 mt -47.72 140.1 8.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.5 Cg_endo -74.96 166.76 28.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.07 9.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.77 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -93.93 -42.63 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.66 -15.91 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -64.19 -76.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' GLY . 8.5 t -49.28 -23.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.51 -65.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 71' ' ' LEU . 63.5 mt -71.09 -46.99 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.35 -15.21 33.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -100.48 -91.15 2.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.3 133.61 56.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.238 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.48 -44.86 27.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -41.44 -68.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.95 -29.44 42.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.86 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -63.83 -70.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.422 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -48.55 -39.11 22.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -47.46 -54.86 10.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 74' ' ' ILE . 33.4 mm -61.01 -53.69 45.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.723 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.8 mt -48.7 -45.44 39.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -52.56 -54.53 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.671 ' O ' HD11 ' A' ' 103' ' ' LEU . 49.4 t80 -64.86 -11.97 43.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -92.35 -22.02 19.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.5 mt -101.37 149.96 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.43 -175.19 19.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -117.41 9.64 13.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 0.727 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' HG2' HD21 ' A' ' 95' ' ' LEU . 3.5 pt-20 -158.46 161.09 37.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.532 HG23 ' HB ' ' A' ' 130' ' ' VAL . 15.3 mm -91.9 119.62 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.743 ' C ' HD23 ' A' ' 84' ' ' LEU . 2.7 tt -122.18 120.14 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.466 ' N ' HD23 ' A' ' 84' ' ' LEU . 33.0 m -134.37 152.78 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.589 ' OG ' HD22 ' A' ' 107' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -97.73 111.27 23.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -97.39 116.71 30.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.529 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.12 115.51 9.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 98' ' ' LEU . 4.8 t -90.38 176.77 6.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.438 ' N ' ' OG ' ' A' ' 97' ' ' SER . 5.2 mt -86.53 -47.7 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.415 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -38.8 -32.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.1 -43.87 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.62 130.68 41.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.41 128.08 35.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.671 HD11 ' O ' ' A' ' 77' ' ' TYR . 14.2 mt -77.25 160.73 28.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.83 130.31 53.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -144.82 125.05 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.87 165.45 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 111' ' ' VAL . 35.1 tp -123.48 114.07 19.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -136.32 148.39 47.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.6 m-20 56.59 18.84 3.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.358 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 45.2 t30 76.19 7.61 3.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.883 ' O ' HD12 ' A' ' 107' ' ' LEU . 6.6 t -106.26 150.78 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.434 HG22 HD13 ' A' ' 107' ' ' LEU . 90.0 t -95.04 135.07 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.37 149.99 51.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' A' ' 117' ' ' GLU . 6.6 p -135.1 128.05 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.474 HD22 HD22 ' A' ' 138' ' ' LEU . 6.3 m-20 49.25 22.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 115' ' ' ASN . 1.6 mtmt 81.94 46.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.507 ' HB3' ' O ' ' A' ' 114' ' ' VAL . 1.5 tt0 -137.81 137.98 22.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.447 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 18.1 Cg_endo -75.08 131.21 13.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 133' ' ' VAL . 99.3 t -87.23 149.12 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.788 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.13 -61.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.551 ' O ' HD11 ' A' ' 124' ' ' ILE . 27.5 mt-10 -147.61 88.33 5.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.0 3.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 62.11 64.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.727 HD12 HG12 ' A' ' 131' ' ' VAL . 18.1 mt -112.48 92.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.47 132.44 53.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -116.98 -166.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.963 ' OG1' HG22 ' A' ' 10' ' ' THR . 60.2 p -83.44 -32.17 26.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.48 45.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.58 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 170.08 -168.76 41.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.42 1.075 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.532 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -134.79 170.12 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.727 HG12 HD12 ' A' ' 124' ' ' ILE . 24.4 t -147.62 147.28 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 75.8 m-70 -136.93 96.7 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.788 HG12 ' HB3' ' A' ' 120' ' ' ALA . 95.9 t -56.88 127.81 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.1 pt -105.07 170.91 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 120' ' ' ALA . 76.1 p -119.76 32.35 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.423 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.421 ' N ' ' OE2' ' A' ' 117' ' ' GLU . 0.3 OUTLIER 175.9 148.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.586 HG11 HD11 ' A' ' 56' ' ' LEU . 79.3 t -73.13 118.61 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 12.0 mt -70.71 158.15 36.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -139.43 152.1 68.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.673 HG22 HG22 ' A' ' 127' ' ' THR . 10.6 p . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.762 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.92 -55.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.84 ' SD ' HD13 ' A' ' 28' ' ' ILE . 20.8 mmm -61.96 -44.8 95.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 10' ' ' THR . 4.5 m-20 -58.48 -39.44 79.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -56.13 -28.85 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.672 HD22 ' CB ' ' A' ' 47' ' ' ALA . 7.4 mt -85.35 -40.23 16.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.771 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.8 mttt -61.15 -44.92 96.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.04 -52.62 52.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.33 123.53 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -68.63 -44.34 74.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.74 -42.27 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.1 m-85 -105.37 51.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.6 p -87.54 -66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -27.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 HD22 ' HD2' ' A' ' 48' ' ' PRO . 9.0 tp -68.35 -57.09 6.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.771 HG11 ' HG2' ' A' ' 16' ' ' LYS . 98.2 t -40.09 -55.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.34 -56.1 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.962 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -47.0 -47.17 22.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.84 HD13 ' SD ' ' A' ' 12' ' ' MET . 45.0 mt -66.06 -59.27 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -45.02 -39.0 5.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -44.72 21.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -59.8 -29.9 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.0 43.37 9.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -107.06 -21.61 12.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' ASN . 6.3 m -45.77 -55.98 5.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -43.29 -60.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -47.64 -55.86 8.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.67 -12.82 56.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -93.2 21.03 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -119.44 142.59 48.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.88 116.74 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.351 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.79 -135.24 3.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.15 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.8 m -147.63 131.71 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -156.01 116.98 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.9 m -91.42 105.7 17.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.665 HG13 HG13 ' A' ' 79' ' ' ILE . 4.0 t -108.69 157.52 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 87.0 m-85 -127.04 114.04 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.672 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -107.58 116.92 56.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.4 Cg_endo -74.99 -178.58 4.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 52' ' ' ALA . 2.8 p -78.03 -171.82 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -77.43 -56.21 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.95 -20.85 59.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -52.51 -38.94 60.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -78.81 -47.26 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -49.14 -26.79 3.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.16 -46.01 65.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.564 HD11 HG21 ' A' ' 137' ' ' VAL . 86.8 mt -45.71 141.3 4.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.02 165.2 31.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.56 8.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -94.76 -40.09 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.481 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.5 tp10 -95.51 -46.01 6.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -59.41 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -53.16 -53.93 43.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -43.38 -52.78 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.0 -60.68 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.71 -17.23 54.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -82.22 -94.48 0.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -60.73 130.1 44.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.91 -42.88 23.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -52.7 41.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.01 -37.75 88.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.962 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -56.11 -68.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.557 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -47.28 -37.24 10.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.69 -50.2 60.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.434 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 21.9 mm -64.67 -50.92 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 79' ' ' ILE . 20.3 mt -52.46 -42.91 64.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -52.26 -54.63 28.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.412 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 63.5 t80 -64.9 -9.42 20.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 7.0 m80 -96.24 -18.58 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.4 mt -101.82 145.72 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.415 ' C ' ' CD1' ' A' ' 98' ' ' LEU . . . -113.02 166.81 12.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.483 ' CG ' ' CD1' ' A' ' 98' ' ' LEU . 7.3 m-20 -108.13 37.31 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.451 ' HG2' HD21 ' A' ' 95' ' ' LEU . 3.3 pt-20 177.64 161.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.528 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.0 mm -90.53 130.15 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.502 HD11 ' CG1' ' A' ' 93' ' ' VAL . 6.6 tt -134.13 119.82 19.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.457 HG12 HG21 ' A' ' 130' ' ' VAL . 29.0 m -128.43 156.7 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.502 ' CG1' HD11 ' A' ' 84' ' ' LEU . 50.8 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -90.42 112.08 23.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -95.1 117.46 30.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.559 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.9 OUTLIER -71.76 126.24 29.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 p -93.78 139.85 30.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.483 ' CD1' ' CG ' ' A' ' 81' ' ' ASP . 7.1 mp -52.39 -25.2 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -67.84 -18.82 64.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.81 -44.3 1.46 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -69.08 149.24 48.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.13 115.61 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 95' ' ' LEU . 3.5 mt -75.83 143.16 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.94 130.73 42.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.0 t -141.71 129.03 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.38 178.55 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 25.6 tp -129.21 110.25 11.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -137.39 140.28 41.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 m120 56.05 19.34 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 72.19 20.95 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.0 t -117.36 139.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.5 t -99.5 148.02 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.15 150.29 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -136.12 104.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.48 HD22 HD22 ' A' ' 138' ' ' LEU . 3.4 m-20 76.65 31.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.06 25.35 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.547 ' OE1' HD23 ' A' ' 138' ' ' LEU . 1.9 mt-10 -117.31 142.52 30.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.14 16.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 133' ' ' VAL . 66.9 t -91.04 158.95 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.512 ' HB2' ' CG2' ' A' ' 135' ' ' THR . . . -89.92 -77.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.547 ' O ' HD11 ' A' ' 124' ' ' ILE . 29.7 mt-10 -130.7 87.21 50.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.13 7.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 69.18 59.07 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.733 ' CD1' HG23 ' A' ' 133' ' ' VAL . 12.8 mt -110.93 92.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.91 120.76 15.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.29 -167.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.673 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -94.17 -0.76 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 128' ' ' ASN . 0.5 OUTLIER -170.92 37.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 162.77 -158.5 30.74 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.528 ' HB ' HG23 ' A' ' 83' ' ' ILE . 2.2 p -136.64 170.46 18.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.762 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.3 t -147.13 151.92 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' HIS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 77.7 m-70 -138.81 98.28 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.733 HG23 ' CD1' ' A' ' 124' ' ' ILE . 97.2 t -60.73 120.68 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.3 pt -99.0 170.55 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' THR . . . . . 0.512 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 38.0 p -117.12 28.18 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.576 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -179.78 144.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.564 HG21 HD11 ' A' ' 56' ' ' LEU . 75.8 t -72.44 115.74 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 17.1 mt -65.66 164.59 14.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -138.39 153.54 72.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.57 -61.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.994 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -134.85 94.04 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.54 -156.24 7.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.0 -60.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.974 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.06 -61.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.45 178.3 16.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.32 -160.38 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -172.48 116.35 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.95 HG22 ' OG1' ' A' ' 127' ' ' THR . 5.8 p -63.38 157.15 23.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.723 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.06 -57.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.646 ' SD ' HD13 ' A' ' 28' ' ' ILE . 25.9 mmm -59.94 -55.55 32.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.32 -46.79 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 9' ' ' GLY . 7.1 t -48.44 -33.36 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.668 HD22 ' CB ' ' A' ' 47' ' ' ALA . 11.3 mt -81.08 -42.28 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.826 ' HG2' HG11 ' A' ' 25' ' ' VAL . 11.5 mtpt -59.67 -41.27 90.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.56 -50.65 62.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.487 ' HB3' ' CD2' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -70.55 124.79 25.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 0.787 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -39.85 77.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -34.6 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.1 m-85 -110.76 48.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.8 p -86.95 -63.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -24.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD22 ' HD2' ' A' ' 48' ' ' PRO . 8.6 tp -69.93 -53.37 18.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.826 HG11 ' HG2' ' A' ' 16' ' ' LYS . 86.7 t -45.58 -55.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.57 -41.33 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.609 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -61.77 -43.32 99.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 25' ' ' VAL . 11.1 mt -64.95 -55.62 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -48.16 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -46.32 89.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' CB ' HD12 ' A' ' 75' ' ' LEU . . . -62.08 -32.98 73.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.45 44.24 5.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 28' ' ' ILE . 4.6 mt -109.72 -22.01 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' ASN . 4.4 m -44.42 -54.33 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -53.04 -55.37 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -48.36 -49.1 35.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 10.2 mt -75.16 -16.64 60.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' THR . 6.9 t-20 -72.93 -37.98 66.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -75.93 138.91 41.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -45.78 168.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.522 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 133.39 -137.22 9.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -155.09 130.88 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -156.03 116.42 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 m -86.72 109.47 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.359 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.602 HG13 HG13 ' A' ' 79' ' ' ILE . 5.8 t -114.76 154.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 94.2 m-85 -125.07 115.21 20.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.668 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -107.26 117.11 56.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.593 ' HD2' HD22 ' A' ' 24' ' ' LEU . 18.1 Cg_endo -75.0 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 52' ' ' ALA . 38.4 p -73.93 -166.48 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -86.1 -46.18 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -14.74 61.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB2' ' OG1' ' A' ' 49' ' ' THR . . . -57.26 -32.94 67.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -80.35 -49.42 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -49.81 -22.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.9 -39.11 61.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.626 HD11 HG21 ' A' ' 137' ' ' VAL . 88.1 mt -52.05 139.51 33.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 18.4 Cg_endo -75.05 166.01 30.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.06 9.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.452 1.764 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -91.77 -41.06 10.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.5 tp10 -95.62 -47.01 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 57' ' ' PRO . 28.3 ttp85 -51.37 -64.81 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.8 t -45.31 -62.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' SER . 0.7 OUTLIER -37.79 -54.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.436 HD11 ' OE2' ' A' ' 60' ' ' GLU . 4.5 mt -50.73 -60.09 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.91 -18.33 55.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.79 -94.53 1.05 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.79 129.32 40.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.92 -44.67 19.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -56.15 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.44 -31.86 73.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.609 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -62.51 -70.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.69 -35.57 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -52.16 -53.84 38.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.421 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 23.9 mm -60.7 -48.36 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.649 ' O ' HD12 ' A' ' 79' ' ' ILE . 10.3 mt -55.36 -45.96 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -52.93 -46.72 68.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.866 ' O ' HD21 ' A' ' 103' ' ' LEU . 91.8 t80 -71.32 -15.89 62.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.8 m80 -89.89 -20.95 22.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.571 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 75' ' ' LEU . 4.0 mt -101.25 147.97 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.69 179.37 19.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -115.69 20.79 14.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' HD21 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -167.81 161.66 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.744 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.7 mm -92.27 110.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.682 HD23 ' N ' ' A' ' 85' ' ' VAL . 1.6 tt -116.6 119.81 36.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.685 HG12 ' HE1' ' A' ' 132' ' ' HIS . 31.5 m -137.34 158.61 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.564 ' HB2' HD22 ' A' ' 107' ' ' LEU . 87.2 p -71.14 67.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.35 -66.34 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.46 63.81 0.61 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.657 HG23 ' CG2' ' A' ' 93' ' ' VAL . 18.8 mm -79.74 -122.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.518 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 161.04 -62.84 0.28 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.69 -55.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.91 HD22 ' H ' ' A' ' 93' ' ' VAL . 1.4 tm? -148.23 147.74 29.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.91 ' H ' HD22 ' A' ' 92' ' ' LEU . 72.9 t -135.2 138.32 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -109.59 111.15 22.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 96' ' ' LYS . 3.5 tt -93.49 118.97 32.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -71.3 111.22 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -179.23 7.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 mt -93.59 -46.32 7.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -30.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.04 -39.86 1.83 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.37 129.13 34.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 135.9 44.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.866 HD21 ' O ' ' A' ' 77' ' ' TYR . 30.0 mt -86.03 129.75 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.592 1.182 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.87 ' HG2' HD21 ' A' ' 92' ' ' LEU . 2.3 tt0 -91.46 130.17 37.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 t -142.54 130.58 20.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 p -139.22 169.41 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.696 HD13 HG22 ' A' ' 112' ' ' VAL . 21.3 tp -128.43 112.49 14.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -137.31 140.22 41.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 5.1 m-20 57.63 18.14 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 25.4 t-20 76.75 13.61 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.1 t -107.68 139.53 29.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.696 HG22 HD13 ' A' ' 107' ' ' LEU . 66.2 t -98.28 141.14 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.41 148.05 45.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.629 HG13 HD21 ' A' ' 138' ' ' LEU . 2.7 p -132.75 103.97 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 1.5 m120 75.2 27.99 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 76.72 26.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.46 142.43 30.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.18 17.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 133' ' ' VAL . 52.9 t -90.69 150.34 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.65 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -80.12 -68.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -145.46 87.86 6.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.53 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -75.0 177.56 8.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.807 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t70 72.9 62.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.731 HD11 HG23 ' A' ' 133' ' ' VAL . 15.5 mt -113.47 93.11 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.6 mmt -64.96 130.01 41.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -113.36 -166.7 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.95 ' OG1' HG22 ' A' ' 10' ' ' THR . 45.2 p -82.1 -33.84 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.99 46.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 168.08 -169.87 41.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.744 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -134.14 170.03 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.723 ' CG2' HG23 ' A' ' 11' ' ' VAL . 25.5 t -147.88 149.3 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.685 ' HE1' HG12 ' A' ' 85' ' ' VAL . 65.3 m-70 -137.86 101.84 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.731 HG23 HD11 ' A' ' 124' ' ' ILE . 64.3 t -60.96 130.34 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.0 OUTLIER -106.87 165.95 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 20.0 p -96.51 -5.72 38.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.526 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.6 OUTLIER -162.47 152.14 15.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.626 HG21 HD11 ' A' ' 56' ' ' LEU . 3.6 t -67.06 128.81 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.629 HD21 HG13 ' A' ' 114' ' ' VAL . 21.8 mt -69.15 167.65 15.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -144.55 138.01 14.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.421 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 157.38 42.7 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.565 1.824 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 68.8 p -55.38 142.31 32.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 175.59 158.6 19.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 101.07 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.811 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.21 82.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.2 m -145.37 -58.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.483 1.114 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.06 166.55 7.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.17 154.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.955 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.38 176.06 19.32 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -115.44 -57.05 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -100.76 135.35 42.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.35 -165.95 31.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 mtt -155.52 118.49 4.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 0.759 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.533 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -123.69 100.27 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.894 HG22 ' OG1' ' A' ' 127' ' ' THR . 3.0 p -57.46 156.53 7.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.74 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -36.93 -59.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.759 ' SD ' HD13 ' A' ' 28' ' ' ILE . 13.2 mmm -57.23 -46.52 82.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.416 ' HB2' ' N ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.09 -49.26 74.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 9' ' ' GLY . 4.9 t -45.44 -32.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 47' ' ' ALA . 9.2 mt -78.75 -42.26 28.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.73 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.9 mttt -62.6 -47.25 84.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.22 -37.54 87.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.75 129.49 34.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -75.92 -43.91 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.89 -38.36 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.431 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.2 m-85 -108.28 54.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -89.47 -67.28 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.47 -30.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.7 tp -64.5 -54.59 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.73 HG11 ' HG2' ' A' ' 16' ' ' LYS . 70.2 t -45.91 -54.26 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.8 -44.07 6.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.057 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.63 -44.6 93.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.759 HD13 ' SD ' ' A' ' 12' ' ' MET . 63.0 mt -63.06 -58.66 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.96 -52.53 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -39.15 93.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.63 72.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.84 42.21 8.35 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 mt -109.07 -22.29 12.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.1 m -46.93 -53.03 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.37 -56.65 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -52.17 -48.31 65.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.8 mt -75.39 -4.4 39.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.3 t-20 -86.78 -24.86 24.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.79 157.03 20.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -66.03 159.12 26.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.661 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 143.31 -130.22 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 41' ' ' GLY . 3.4 m -158.87 130.24 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -156.56 116.31 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.5 m -87.56 105.24 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.418 HG13 HG13 ' A' ' 79' ' ' ILE . 3.0 t -107.2 156.16 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 91.7 m-85 -130.0 113.38 14.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.147 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -105.45 116.89 59.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.4 Cg_endo -74.94 173.12 15.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 5.4 p -75.21 -179.44 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.444 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.23 -45.37 56.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -15.35 58.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -66.63 -54.54 22.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.484 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 46.1 m-85 -65.43 -29.44 70.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -67.07 -27.94 67.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.239 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.59 69.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.597 HD22 ' CD ' ' A' ' 60' ' ' GLU . 12.0 mt -43.18 138.84 2.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.5 Cg_endo -75.0 166.96 28.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.76 18.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.09 -33.07 15.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.597 ' CD ' HD22 ' A' ' 56' ' ' LEU . 7.3 tt0 -96.01 -17.14 21.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -67.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 66' ' ' GLY . 36.7 t -58.74 -23.87 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -58.98 -50.38 74.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.405 HD11 HG13 ' A' ' 74' ' ' ILE . 34.3 mt -88.1 -45.17 10.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.74 -16.69 61.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -106.85 -75.88 0.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.98 128.42 36.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -82.66 -50.31 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -40.82 -58.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -36.0 78.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.057 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -52.15 -69.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -50.46 -48.66 56.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ALA . 11.0 t30 -39.69 -46.75 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.464 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 32.0 mm -70.05 -59.17 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.502 HD13 HG12 ' A' ' 28' ' ' ILE . 7.8 mt -44.05 -54.67 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HE3' ' HB1' ' A' ' 72' ' ' ALA . 16.3 mttt -46.14 -54.49 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.81 ' O ' HD11 ' A' ' 103' ' ' LEU . 77.0 t80 -61.35 -21.78 64.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 9.8 m80 -84.53 -19.38 33.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.617 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.418 HG13 HG13 ' A' ' 45' ' ' VAL . 5.2 mt -101.33 144.97 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.42 163.39 12.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -101.46 40.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 171.54 160.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.585 HG23 ' CG1' ' A' ' 130' ' ' VAL . 4.9 mm -89.66 134.14 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.622 ' C ' HD23 ' A' ' 84' ' ' LEU . 5.7 tt -141.81 119.98 12.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.619 HG12 ' CE1' ' A' ' 132' ' ' HIS . 34.6 m -136.22 159.56 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 t -69.47 67.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -133.63 53.98 0.78 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.03 62.99 0.24 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.431 HD11 ' O ' ' A' ' 85' ' ' VAL . 1.0 OUTLIER -105.75 102.88 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -53.93 -39.47 62.71 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.26 -51.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.935 HD13 ' N ' ' A' ' 93' ' ' VAL . 3.0 tm? -141.58 154.12 45.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.935 ' N ' HD13 ' A' ' 92' ' ' LEU . 35.1 t -142.8 136.7 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -103.8 114.93 29.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -106.42 115.75 30.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.588 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -69.46 123.6 21.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -93.28 149.89 20.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 98' ' ' LEU . 6.0 mp -58.6 -35.82 73.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.94 -19.28 51.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 114.16 -44.69 1.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.55 131.4 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 0.735 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 129.24 34.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.81 HD11 ' O ' ' A' ' 77' ' ' TYR . 32.8 mt -85.04 155.97 21.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.514 ' HG2' HD11 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -113.03 131.57 55.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -141.83 124.9 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -138.57 174.79 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 111' ' ' VAL . 27.3 tp -124.67 117.38 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -135.9 134.04 38.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 1.2 t-20 61.11 16.35 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 2.2 t-20 81.96 10.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.564 ' O ' HD12 ' A' ' 107' ' ' LEU . 15.1 t -107.97 150.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.3 t -104.33 133.25 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.65 149.35 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 114' ' ' VAL . 11.1 p -134.24 102.86 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 1.6 m-20 75.46 33.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt 71.8 25.37 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.602 ' OE2' HD23 ' A' ' 138' ' ' LEU . 2.0 mt-10 -116.84 138.91 25.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.2 Cg_endo -75.02 132.94 15.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 133' ' ' VAL . 56.5 t -87.68 146.94 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.718 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -76.27 -66.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -146.73 88.67 5.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.503 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -75.0 173.08 15.12 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.465 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 4.4 t70 76.62 60.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.793 ' CD1' HG23 ' A' ' 133' ' ' VAL . 11.9 mt -113.19 93.04 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -65.84 141.63 58.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -122.76 -166.35 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.894 ' OG1' HG22 ' A' ' 10' ' ' THR . 81.8 p -85.78 -23.86 27.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -158.58 48.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 163.23 -165.83 36.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.585 ' CG1' HG23 ' A' ' 83' ' ' ILE . 5.2 p -139.9 170.55 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.74 ' CG2' HG23 ' A' ' 11' ' ' VAL . 38.8 t -148.1 153.19 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.619 ' CE1' HG12 ' A' ' 85' ' ' VAL . 87.8 m-70 -140.4 99.83 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.793 HG23 ' CD1' ' A' ' 124' ' ' ILE . 64.7 t -57.57 129.16 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -106.5 171.39 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 120' ' ' ALA . 24.3 p -118.83 30.6 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.502 ' O ' HD12 ' A' ' 134' ' ' ILE . 1.3 m-20 179.39 148.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.91 110.67 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.602 HD23 ' OE2' ' A' ' 117' ' ' GLU . 25.5 mt -61.3 161.8 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -139.6 151.32 66.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.464 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.01 159.19 41.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.3 t -91.26 -51.58 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.75 -166.61 42.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -50.69 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.69 131.61 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.4 t -142.41 -58.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.037 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 p -99.56 -56.87 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 110.024 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 p -155.02 124.89 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.81 135.84 4.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.32 95.24 2.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.79 136.32 56.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.81 -167.87 13.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mtt 66.17 128.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -131.4 104.42 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.952 HG22 ' OG1' ' A' ' 127' ' ' THR . 6.1 p -63.06 156.59 24.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.832 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.6 -59.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.598 ' SD ' HG21 ' A' ' 28' ' ' ILE . 14.4 mmm -57.49 -47.9 80.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -55.94 -48.86 74.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 9' ' ' GLY . 4.2 t -44.78 -29.64 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 mt -85.51 -42.71 14.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.682 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.9 mttt -59.41 -45.51 91.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.58 34.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.18 130.41 41.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.88 -34.09 59.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -44.55 -41.4 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -109.16 58.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.7 p -88.73 -54.17 4.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.2 mtp -52.91 -42.12 65.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 11.8 tp -53.97 -59.61 4.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' HG2' ' A' ' 16' ' ' LYS . 79.7 t -43.08 -54.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.73 -39.02 4.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.047 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -66.36 -44.32 83.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.598 HG21 ' SD ' ' A' ' 12' ' ' MET . 66.7 mt -63.03 -49.71 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -52.13 65.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -37.73 86.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.51 -30.91 69.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.38 34.01 15.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mt -102.13 -24.36 13.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.466 ' OG1' HG22 ' A' ' 28' ' ' ILE . 6.4 m -43.72 -50.17 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -53.99 51.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -54.33 -33.88 59.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' CB ' ' HG2' ' A' ' 12' ' ' MET . 22.6 mt -91.17 4.33 52.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -101.43 -21.84 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.98 151.99 23.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 155.68 7.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.612 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 141.96 -134.45 6.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 41' ' ' GLY . 11.4 m -157.56 131.52 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -155.71 117.9 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -89.4 102.37 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.631 HG13 HG13 ' A' ' 79' ' ' ILE . 3.3 t -104.34 156.44 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 80.4 m-85 -129.94 112.87 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.492 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.3 117.9 56.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.95 -179.14 4.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.484 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 2.7 p -86.48 178.22 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.68 -43.09 73.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -17.17 64.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -66.62 -58.3 5.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 71.0 m-85 -62.96 -36.68 84.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -60.15 -23.02 63.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.07 50.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 10.0 mt -54.4 141.35 53.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -74.97 175.2 11.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.4 20.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -84.67 -55.41 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.9 -15.82 63.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HG2' HD12 ' A' ' 65' ' ' LEU . 2.0 ttp180 -70.36 -73.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -19.22 15.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -60.06 -45.89 91.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.7 mt -97.53 -46.77 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.578 HD12 ' HG2' ' A' ' 61' ' ' ARG . 75.5 mt -60.07 -28.66 67.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.15 -85.35 1.06 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.18 119.53 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.7 78.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -57.82 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.74 -29.35 69.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.047 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.6 tt -61.33 -65.02 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.71 -45.52 66.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -42.07 -50.71 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.407 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 31.7 mm -64.41 -56.46 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.583 HD13 HG12 ' A' ' 28' ' ' ILE . 5.0 mt -46.58 -51.93 14.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -49.4 -52.04 31.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.635 ' O ' HD11 ' A' ' 103' ' ' LEU . 89.9 t80 -65.92 -19.18 65.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.0 m80 -86.26 -20.18 28.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.631 HG13 HG13 ' A' ' 45' ' ' VAL . 4.2 mt -101.13 147.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.55 176.56 17.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -117.03 38.04 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.489 ' HG2' HD21 ' A' ' 95' ' ' LEU . 3.9 pt-20 178.43 158.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.773 HG23 ' HB ' ' A' ' 130' ' ' VAL . 5.1 mm -92.25 101.86 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 85' ' ' VAL . 2.5 tt -115.15 121.58 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.726 HG12 ' CE1' ' A' ' 132' ' ' HIS . 18.7 m -136.46 175.64 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -78.99 55.12 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.016 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.57 -56.03 0.45 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.093 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.77 58.04 0.71 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.589 HG22 ' N ' ' A' ' 90' ' ' GLY . 43.7 mm -63.74 -112.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.626 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . 127.72 60.47 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 79.38 -71.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.832 HD13 ' N ' ' A' ' 93' ' ' VAL . 1.7 tm? -147.76 152.15 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.832 ' N ' HD13 ' A' ' 92' ' ' LEU . 24.7 t -142.71 141.89 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -104.94 106.01 16.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -89.3 116.99 27.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.493 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -73.1 122.12 21.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 p -92.56 177.69 6.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.5 mt -85.44 -45.68 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -47.63 -29.55 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 125.57 -40.73 1.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.45 133.82 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 133.28 35.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 77' ' ' TYR . 14.7 mt -89.32 147.8 23.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.823 ' HG2' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -104.98 130.37 53.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -139.98 127.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 p -140.72 171.19 14.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.1 tp -125.44 113.86 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -137.64 135.79 36.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 12.9 t30 59.59 18.75 7.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.5 t-20 76.25 15.99 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.4 t -110.17 139.48 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.7 t -99.62 139.82 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.74 150.74 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.7 p -138.23 104.88 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 2.4 m120 75.02 31.56 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 70.55 29.46 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -122.63 144.53 42.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 140.16 25.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 133' ' ' VAL . 72.1 t -97.22 147.7 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.792 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -79.27 -65.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.452 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.9 mt-10 -147.6 88.62 5.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.502 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.99 -178.4 4.14 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.798 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.459 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 2.4 m-20 63.32 65.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.772 HD12 HG12 ' A' ' 131' ' ' VAL . 20.8 mt -113.23 92.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 3.6 mmt -58.93 134.7 57.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -122.15 -166.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.952 ' OG1' HG22 ' A' ' 10' ' ' THR . 43.4 p -85.4 -34.63 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.449 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.59 49.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 166.54 -164.69 37.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.773 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -141.08 170.28 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.832 ' CG2' HG23 ' A' ' 11' ' ' VAL . 28.9 t -148.35 147.91 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.726 ' CE1' HG12 ' A' ' 85' ' ' VAL . 80.3 m-70 -137.56 97.14 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 120' ' ' ALA . 89.5 t -56.78 130.99 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.1 pt -106.05 171.29 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 40.7 p -118.81 31.75 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.391 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 174.43 144.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.9 125.18 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 20.3 mt -77.53 157.77 30.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -139.2 151.48 67.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.407 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.0 168.54 24.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.7 104.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.76 157.58 24.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.33 14.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 15.0 t -149.73 106.57 3.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.0 157.48 11.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.458 ' HA3' HG22 ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t 67.91 88.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.943 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -160.66 144.84 13.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.12 -148.92 20.95 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -64.19 -54.41 34.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.48 100.52 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.02 -177.44 14.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.76 128.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.513 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -134.23 106.7 0.62 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.877 HG22 ' OG1' ' A' ' 127' ' ' THR . 3.7 p -60.65 157.85 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.407 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.842 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.01 -56.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.624 ' SD ' HD13 ' A' ' 28' ' ' ILE . 8.0 mmm -61.41 -52.76 63.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.3 m-20 -49.75 -47.86 50.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 9' ' ' GLY . 2.7 t -45.88 -36.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 47' ' ' ALA . 13.6 mt -73.53 -37.96 65.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.5 mttt -64.13 -41.11 97.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.01 -56.48 24.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.68 129.39 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -72.93 -42.34 63.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -39.99 -43.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.3 m-85 -103.8 54.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 p -89.16 -66.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.03 -31.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.74 -56.67 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.749 ' HA ' HD12 ' A' ' 28' ' ' ILE . 65.4 t -42.24 -51.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.43 -51.67 8.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.814 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -51.46 -55.75 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 25' ' ' VAL . 5.1 mt -51.48 -64.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -45.29 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -50.01 68.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.05 -32.56 72.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.24 42.73 5.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.08 -20.95 13.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.521 ' OG1' HG22 ' A' ' 28' ' ' ILE . 9.3 m -45.95 -53.69 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.4 mt-10 -54.32 -57.4 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -44.69 -50.03 10.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.72 -21.7 59.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' GLU . 8.2 t-20 -67.83 -31.09 70.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -79.75 143.71 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.62 159.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.524 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 141.72 -137.5 8.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 41' ' ' GLY . 3.7 m -155.0 130.98 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -156.63 118.75 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.513 ' HB ' HD11 ' A' ' 95' ' ' LEU . 19.5 m -88.98 105.47 17.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.448 HG13 HG13 ' A' ' 79' ' ' ILE . 3.3 t -110.44 155.88 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 98.6 m-85 -127.91 114.05 16.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.551 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -103.72 116.82 61.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.02 -175.9 2.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -90.69 -172.15 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -75.94 -46.63 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -19.64 62.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -63.6 -58.89 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 53.2 m-85 -62.49 -34.88 77.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -64.12 -24.31 67.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.03 -43.1 59.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.628 HD11 HG11 ' A' ' 137' ' ' VAL . 12.6 mt -42.11 143.49 1.01 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 163.0 36.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.52 8.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.48 -32.67 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' OE2' HD22 ' A' ' 56' ' ' LEU . 3.6 tt0 -95.9 -17.21 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -73.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.7 t -52.71 -23.04 5.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -57.65 -68.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.91 -48.34 71.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.98 -15.54 32.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -97.35 -85.32 1.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.23 141.31 57.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.37 -47.51 8.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -42.31 -67.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.47 -40.65 59.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.814 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -50.21 -70.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.99 -38.06 35.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -51.17 -46.02 61.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.472 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 24.4 mm -69.99 -52.25 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 79' ' ' ILE . 8.0 mt -50.88 -53.18 34.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -47.34 -53.84 12.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.594 ' O ' HD11 ' A' ' 103' ' ' LEU . 78.9 t80 -62.22 -20.53 64.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.4 m80 -84.34 -18.75 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.621 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.752 HG22 HD21 ' A' ' 98' ' ' LEU . 2.9 mt -103.17 146.84 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.42 176.05 17.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -114.52 45.12 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.439 ' HG2' ' CD2' ' A' ' 95' ' ' LEU . 1.1 pt-20 171.65 158.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.776 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.4 mm -92.06 121.14 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.441 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 4.4 tt -124.47 120.65 32.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.824 ' O ' HD11 ' A' ' 89' ' ' ILE . 31.0 m -134.88 162.0 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.448 ' HB2' HD22 ' A' ' 107' ' ' LEU . 88.0 p -71.05 61.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.34 82.76 0.19 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.89 48.56 1.01 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.824 HD11 ' O ' ' A' ' 85' ' ' VAL . 0.8 OUTLIER -106.25 103.76 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.37 -39.6 90.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -175.87 -60.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 106' ' ' SER . 0.9 OUTLIER -141.54 146.02 35.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.5 t -135.85 148.54 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -105.87 106.52 17.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.513 HD11 ' HB ' ' A' ' 44' ' ' THR . 1.1 tt -90.3 115.17 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.506 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -69.54 130.68 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -105.63 149.89 25.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.752 HD21 HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -59.48 -47.41 85.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.415 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 5.7 tm0? -44.75 -34.82 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.96 -46.94 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.64 133.9 52.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -80.42 134.13 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 77' ' ' TYR . 27.4 mt -92.78 143.49 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' HG2' HD11 ' A' ' 92' ' ' LEU . 2.6 mt-10 -102.34 130.37 49.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.35 125.1 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.428 ' HB3' HD12 ' A' ' 92' ' ' LEU . 4.0 p -136.81 177.95 7.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.448 HD22 ' HB2' ' A' ' 86' ' ' SER . 51.8 tp -137.25 106.7 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -133.39 143.0 48.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 13.8 m120 56.5 18.92 3.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.3 t-20 75.19 18.07 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.47 137.93 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -100.8 141.12 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.01 152.74 51.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 114' ' ' VAL . 12.6 p -139.09 106.87 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.469 HD22 HD22 ' A' ' 103' ' ' LEU . 3.2 m120 73.1 28.91 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt 73.64 30.16 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.629 ' OE1' HD23 ' A' ' 138' ' ' LEU . 2.7 mt-10 -122.88 143.5 40.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.97 18.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 133' ' ' VAL . 79.4 t -92.57 153.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.716 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -83.53 -69.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -145.04 86.57 7.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.496 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.97 177.91 7.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 2.6 t70 75.72 61.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.727 HD12 HG12 ' A' ' 131' ' ' VAL . 11.7 mt -115.83 93.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.6 mmt -68.5 132.34 46.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.09 -167.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.877 ' OG1' HG22 ' A' ' 10' ' ' THR . 18.8 p -88.99 -9.8 50.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.66 47.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 160.32 -166.12 35.14 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.776 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -138.39 169.99 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.842 ' CG2' HG23 ' A' ' 11' ' ' VAL . 24.5 t -148.25 149.42 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 67.5 m-70 -137.84 102.1 4.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.603 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.716 HG12 ' HB3' ' A' ' 120' ' ' ALA . 93.5 t -59.67 122.16 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 136' ' ' ASN . 43.0 pt -100.73 167.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.552 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 42.2 p -116.7 39.34 3.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.688 ' O ' HD12 ' A' ' 134' ' ' ILE . 1.0 OUTLIER 170.86 149.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.628 HG11 HD11 ' A' ' 56' ' ' LEU . 71.2 t -78.61 115.33 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.629 HD23 ' OE1' ' A' ' 117' ' ' GLU . 14.0 mt -65.97 158.26 28.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -143.96 146.98 36.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.472 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.1 Cg_endo -75.03 146.24 32.29 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.5 p -48.23 -74.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 70.99 -162.19 54.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.7 m -70.39 157.44 37.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.1 m 43.44 82.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.59 144.83 32.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.74 117.0 11.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.99 -170.71 24.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.18 114.51 3.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 m -171.41 131.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.1 -141.27 4.02 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 mtm -165.74 124.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.783 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.734 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -137.04 110.53 0.78 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.944 HG22 ' OG1' ' A' ' 127' ' ' THR . 7.7 p -53.15 154.46 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.401 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.779 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -39.59 -55.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.604 ' SD ' HG21 ' A' ' 28' ' ' ILE . 14.2 mmm -60.16 -55.28 35.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' LYS . 10.5 m-20 -49.6 -48.85 48.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 9' ' ' GLY . 4.6 t -44.56 -34.34 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.664 HD22 ' CB ' ' A' ' 47' ' ' ALA . 12.2 mt -78.08 -40.42 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.695 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.5 mttt -65.19 -44.82 87.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.41 -63.44 4.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.72 140.27 56.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 0.785 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -80.0 -36.67 35.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.2 -30.69 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -117.34 53.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.0 p -88.44 -68.92 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.543 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 56.6 mtp -41.12 -43.18 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.3 tp -49.4 -57.93 6.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG11 ' HG2' ' A' ' 16' ' ' LYS . 74.3 t -42.52 -51.34 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -44.25 -46.26 8.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.015 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.68 -45.33 92.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 25' ' ' VAL . 10.6 mt -64.99 -50.5 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.55 -45.69 69.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -45.42 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.52 67.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.32 42.96 26.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mt -104.73 -23.43 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -40.52 -56.66 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -57.13 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -52.52 -34.52 50.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.5 mt -93.43 8.39 40.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.54 -19.02 13.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -87.3 145.9 26.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -54.28 142.87 24.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.664 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 155.76 -132.59 3.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -159.54 130.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -156.27 119.9 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.9 m -89.91 100.72 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG13 HG13 ' A' ' 79' ' ' ILE . 2.7 t -102.26 155.94 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 82.5 m-85 -128.95 109.45 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.664 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -104.06 117.75 58.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.503 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.3 Cg_endo -74.99 -177.19 3.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.9 p -87.91 -172.22 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -51.91 11.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.15 -21.87 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -58.92 -55.16 38.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' LEU . 44.4 m-85 -62.65 -48.8 77.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -22.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -75.35 -39.84 58.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.616 HD11 HG11 ' A' ' 137' ' ' VAL . 14.0 mt -49.37 142.46 10.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -75.02 172.96 15.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.47 18.05 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -93.62 -42.95 8.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.7 -18.49 51.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.687 ' HD3' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -69.0 -74.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -19.84 8.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -47.91 79.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 mt -90.47 -47.46 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' HD3' ' A' ' 61' ' ' ARG . 95.7 mt -61.43 -17.34 53.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.4 -80.93 1.54 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.01 125.2 22.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.32 -42.59 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -61.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -29.66 67.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.015 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -57.4 -69.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.88 -40.54 43.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -48.66 -47.55 40.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 26.2 mm -68.85 -53.26 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 79' ' ' ILE . 10.8 mt -49.25 -45.99 45.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -51.74 -55.11 21.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.606 ' O ' HD11 ' A' ' 103' ' ' LEU . 89.8 t80 -63.66 -15.41 58.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.3 m80 -88.11 -20.06 26.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.771 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.2 mt -101.08 151.62 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.75 169.69 13.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.712 ' OD2' HD23 ' A' ' 98' ' ' LEU . 3.6 m-20 -100.59 12.07 38.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -166.58 165.5 16.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.669 HG23 ' HB ' ' A' ' 130' ' ' VAL . 8.7 mm -90.42 126.34 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 85' ' ' VAL . 2.3 tt -131.52 119.84 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.805 HG12 ' HE1' ' A' ' 132' ' ' HIS . 26.9 m -136.46 171.57 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.2 p -69.95 60.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -103.2 58.33 0.54 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.4 73.02 0.84 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.689 HG23 ' CG2' ' A' ' 93' ' ' VAL . 27.2 mm -72.21 -117.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.574 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 172.42 -49.61 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -167.08 -56.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.889 HD22 ' H ' ' A' ' 93' ' ' VAL . 1.4 tm? -148.82 148.38 29.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.889 ' H ' HD22 ' A' ' 92' ' ' LEU . 98.6 t -137.2 123.26 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -91.33 117.25 29.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 96' ' ' LYS . 2.5 tt -104.82 117.78 34.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.547 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -74.95 110.18 9.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 98' ' ' LEU . 11.5 t -78.84 177.42 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.032 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.712 HD23 ' OD2' ' A' ' 81' ' ' ASP . 8.8 mt -82.08 -47.53 12.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -34.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.14 -43.09 1.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.78 136.6 57.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.43 126.39 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.606 HD11 ' O ' ' A' ' 77' ' ' TYR . 49.5 mt -81.43 163.19 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.819 ' HG2' HD21 ' A' ' 92' ' ' LEU . 1.8 mt-10 -127.84 130.74 49.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 93' ' ' VAL . 3.4 t -142.67 124.72 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 p -129.37 174.2 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.923 HD13 HG22 ' A' ' 112' ' ' VAL . 23.3 tp -135.19 112.89 10.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -137.46 145.24 42.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.2 m120 56.59 18.57 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.8 t-20 78.32 7.36 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.48 ' O ' HD12 ' A' ' 107' ' ' LEU . 6.1 t -105.1 142.7 17.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.923 HG22 HD13 ' A' ' 107' ' ' LEU . 68.2 t -95.95 145.79 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.03 152.54 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -138.73 106.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.484 HD22 HD22 ' A' ' 103' ' ' LEU . 4.7 m120 71.56 34.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 4.8 mtmm 68.79 34.73 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.49 ' OE2' HD23 ' A' ' 138' ' ' LEU . 1.6 mt-10 -126.82 142.29 43.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.54 20.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 133' ' ' VAL . 55.4 t -93.3 149.88 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.724 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.27 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.537 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.8 mt-10 -147.3 88.14 5.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.549 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.97 -178.07 3.9 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.4 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 1.9 m-20 62.92 65.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.771 HD12 HG12 ' A' ' 131' ' ' VAL . 14.5 mt -114.89 92.29 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 3.9 mmt -60.47 130.01 44.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -112.32 -166.2 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.944 ' OG1' HG22 ' A' ' 10' ' ' THR . 17.2 p -93.56 -10.09 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -170.59 45.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 162.43 -163.7 35.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.669 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -137.53 169.56 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.779 ' CG2' HG23 ' A' ' 11' ' ' VAL . 24.7 t -149.0 145.98 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.805 ' HE1' HG12 ' A' ' 85' ' ' VAL . 67.9 m-70 -136.41 97.88 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.724 HG12 ' HB3' ' A' ' 120' ' ' ALA . 92.7 t -57.18 127.56 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.3 pt -105.49 171.46 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.443 HG22 ' HB2' ' A' ' 120' ' ' ALA . 61.4 p -118.33 35.23 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.656 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER 175.09 149.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.616 HG11 HD11 ' A' ' 56' ' ' LEU . 80.8 t -78.85 107.06 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 27.7 mt -56.78 157.63 5.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -141.05 151.55 62.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.96 165.63 30.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.4 p -75.94 -69.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 56.32 177.1 0.3 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 73.68 4.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 30.1 t -178.55 92.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.11 80.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -108.63 -62.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p -175.88 118.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.21 78.83 0.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -165.97 164.7 18.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 t -78.58 151.18 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.96 -107.57 0.35 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptm -179.88 137.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.447 ' C ' HG23 ' A' ' 127' ' ' THR . . . -142.51 115.45 0.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.961 HG22 ' OG1' ' A' ' 127' ' ' THR . 20.0 p -61.33 161.98 8.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.71 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -43.91 -49.88 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.564 ' SD ' HG21 ' A' ' 28' ' ' ILE . 20.4 mmm -62.98 -55.98 21.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -50.15 -44.39 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -48.18 -33.57 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 47' ' ' ALA . 8.7 mt -81.27 -43.02 19.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.681 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.4 mttt -59.64 -49.12 78.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.86 -56.19 19.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.83 122.55 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -67.86 -33.82 75.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -53.76 -26.98 26.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.8 m-85 -118.55 44.88 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -86.94 -51.76 5.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.957 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -34.68 68.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.5 tp -61.09 -52.74 63.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.681 HG11 ' HG2' ' A' ' 16' ' ' LYS . 70.4 t -45.0 -51.55 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.17 -38.48 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.909 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -67.04 -46.29 74.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.564 HG21 ' SD ' ' A' ' 12' ' ' MET . 18.8 mt -65.51 -48.47 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -53.91 44.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -40.82 97.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.32 72.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.61 41.83 9.58 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -106.91 -24.43 12.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.426 ' OG1' HG22 ' A' ' 28' ' ' ILE . 15.5 m -41.91 -51.21 4.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.366 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -57.47 10.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -55.24 -28.76 55.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -95.81 3.42 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.1 t-20 -105.16 -20.44 13.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.93 145.77 31.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -57.18 136.32 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.639 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 160.62 -129.97 2.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.429 1.08 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -159.17 130.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -156.27 119.84 4.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 m -91.47 107.1 18.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.578 HG22 HG12 ' A' ' 79' ' ' ILE . 4.6 t -110.84 157.71 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 94.7 m-85 -128.82 116.07 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.681 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -108.49 117.1 55.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.559 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.97 167.14 27.71 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.756 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.9 p -67.17 -177.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -78.03 -39.7 41.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -12.05 61.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.92 -60.71 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.559 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 60.8 m-85 -60.22 -32.48 71.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -64.03 -26.97 68.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.72 -40.33 55.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.3 mt -44.88 139.39 3.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -74.99 174.08 13.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.29 21.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -87.18 -43.89 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.19 -23.2 51.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -65.5 -76.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -53.49 -28.35 30.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -46.02 72.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -97.72 -47.01 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.5 HD12 ' HG2' ' A' ' 61' ' ' ARG . 91.9 mt -60.82 -15.71 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -98.49 -79.64 1.47 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.03 132.9 55.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.16 -47.16 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -46.84 -56.28 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.79 -32.53 72.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.909 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -57.3 -70.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.98 -42.05 59.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -46.53 -49.15 19.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mm -65.99 -54.53 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 78' ' ' HIS . 6.2 mt -48.37 -52.36 22.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -45.68 -51.24 12.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.656 ' O ' HD11 ' A' ' 103' ' ' LEU . 64.7 t80 -64.69 -24.3 67.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 11.5 m80 -81.88 -20.65 38.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.578 HG12 HG22 ' A' ' 45' ' ' VAL . 6.1 mt -101.7 150.0 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.03 177.29 16.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -112.96 38.14 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.8 pt-20 174.16 161.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.56 HG23 ' HB ' ' A' ' 130' ' ' VAL . 8.4 mm -93.15 130.71 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 85' ' ' VAL . 4.1 tt -136.85 120.02 16.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.608 ' N ' HD23 ' A' ' 84' ' ' LEU . 15.6 m -134.63 168.84 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.7 p -72.47 60.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.06 71.1 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.4 42.31 0.83 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.606 HG22 ' N ' ' A' ' 90' ' ' GLY . 9.3 mm -67.64 -112.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.606 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 128.68 62.82 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 74.4 -70.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.799 HD22 ' H ' ' A' ' 93' ' ' VAL . 1.7 tm? -146.72 151.33 37.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.799 ' H ' HD22 ' A' ' 92' ' ' LEU . 8.7 t -141.23 140.01 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -104.9 113.49 27.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -95.38 119.55 34.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.648 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -69.38 127.33 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -101.71 174.36 5.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.53 -45.2 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.94 -30.39 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.54 -43.98 1.28 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.31 129.95 40.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.92 139.28 40.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.656 HD11 ' O ' ' A' ' 77' ' ' TYR . 29.0 mt -92.64 138.39 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.793 ' HG2' HD21 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -98.72 130.56 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 113' ' ' SER . 2.3 t -140.32 127.18 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 p -140.74 173.1 11.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 45.0 tp -125.29 108.32 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -129.12 138.61 51.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 58.46 19.16 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 75.17 19.33 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.9 t -114.98 143.9 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.1 144.06 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.433 ' O ' HG13 ' A' ' 105' ' ' VAL . 0.6 OUTLIER -138.94 150.22 45.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.484 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 4.3 p -135.76 101.65 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 3.2 m-20 78.75 31.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.404 ' C ' ' OE1' ' A' ' 117' ' ' GLU . 0.0 OUTLIER 76.6 1.33 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -92.55 142.23 25.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.31 26.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 133' ' ' VAL . 96.6 t -99.4 158.4 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -92.53 -81.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.535 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.8 mm-40 -124.33 87.11 54.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.37 4.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.71 64.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.728 HD12 HG12 ' A' ' 131' ' ' VAL . 17.0 mt -112.34 92.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 4.3 mmt -63.31 130.7 45.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -113.03 -166.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.961 ' OG1' HG22 ' A' ' 10' ' ' THR . 43.8 p -90.85 -15.83 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -166.23 45.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 163.26 -167.72 37.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.56 ' HB ' HG23 ' A' ' 83' ' ' ILE . 1.7 p -133.56 170.24 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.728 HG12 HD12 ' A' ' 124' ' ' ILE . 24.3 t -147.89 147.58 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.585 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 69.0 m-70 -136.65 97.17 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.624 HG23 ' CD1' ' A' ' 124' ' ' ILE . 86.8 t -58.92 126.87 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -104.33 170.63 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.541 HG22 ' HB2' ' A' ' 120' ' ' ALA . 4.9 p -110.81 23.73 13.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.455 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.677 ' O ' HD12 ' A' ' 134' ' ' ILE . 1.9 m-80 174.91 152.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 64.4 t -70.53 132.09 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 21.7 mt -77.52 162.77 26.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -142.5 144.54 30.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.91 28.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.5 t 57.3 161.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -76.64 156.59 46.52 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.77 2.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 36.1 p -44.72 -57.41 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.994 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.4 t -74.76 155.57 37.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t 56.44 79.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.63 -58.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.31 141.76 11.45 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.04 133.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.798 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.32 143.51 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.72 129.17 49.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.0 129.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.89 101.24 0.48 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 127' ' ' THR . 4.8 p -68.43 154.56 41.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 0.719 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.836 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.74 -55.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.512 ' SD ' HG21 ' A' ' 28' ' ' ILE . 10.5 mmm -55.54 -46.77 77.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -58.06 -48.18 80.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.42 -30.67 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 12' ' ' MET . 11.9 mt -81.21 -41.22 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HG2' HG11 ' A' ' 25' ' ' VAL . 13.0 mttt -60.91 -43.3 98.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.35 -53.87 42.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.72 130.89 44.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -78.08 -42.82 30.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -38.45 -43.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -107.46 55.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 p -82.4 -58.99 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.952 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.13 -44.54 32.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 9.0 tp -47.63 -53.79 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.708 ' HA ' HD12 ' A' ' 28' ' ' ILE . 38.5 t -47.37 -58.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.53 -49.25 4.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.661 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -54.38 -46.74 73.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 25' ' ' VAL . 9.7 mt -64.19 -56.59 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -48.53 -42.47 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -46.71 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 -32.61 71.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.69 40.72 8.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.35 -19.2 14.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.5 m -48.31 -52.68 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.8 mt-10 -48.75 -59.12 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -45.14 -54.49 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD13 ' HG2' ' A' ' 12' ' ' MET . 9.0 mt -68.41 -19.87 64.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -70.06 -27.58 64.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -82.05 140.72 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.05 143.25 39.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.503 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 159.52 -133.45 3.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.122 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 41' ' ' GLY . 1.6 m -154.34 130.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -157.35 117.34 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.1 m -87.85 110.16 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 79' ' ' ILE . 10.1 t -113.8 157.92 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 86.0 m-85 -128.94 117.97 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.426 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -103.97 117.73 58.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.486 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -74.96 -179.67 5.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' ' 135' ' ' THR . 29.8 p -78.67 -171.41 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -80.09 -47.65 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.07 -12.62 60.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -62.78 -49.66 74.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.42 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 38.4 m-85 -68.56 -45.37 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -55.49 -25.83 39.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.14 -46.3 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 89.9 mt -42.87 140.11 1.95 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -74.97 165.82 30.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.32 9.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -94.32 -41.88 9.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.7 tp10 -93.53 -47.72 6.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -62.22 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -50.55 -50.88 52.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.09 -54.84 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 71' ' ' LEU . 5.8 mt -51.84 -59.68 4.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -60.55 -17.02 43.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.369 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.8 -94.8 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -61.1 122.74 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.61 75.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.73 -64.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.84 -37.72 63.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.661 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -58.97 -70.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.87 -37.52 6.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -49.87 -49.84 47.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.467 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 21.8 mm -65.02 -52.14 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.7 mt -51.07 -49.51 60.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -50.2 -54.34 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.566 ' O ' HD21 ' A' ' 103' ' ' LEU . 89.3 t80 -62.58 -17.46 60.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -87.95 -21.3 24.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.635 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.4 mt -101.49 147.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.55 169.09 12.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -106.07 39.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 171.19 162.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.442 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.7 mm -88.3 130.86 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.681 ' C ' HD23 ' A' ' 84' ' ' LEU . 4.1 tt -138.51 119.81 14.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.846 HG12 ' HE1' ' A' ' 132' ' ' HIS . 11.8 m -138.12 176.84 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 p -77.47 55.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.21 62.38 0.88 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.0 75.52 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.776 HG23 ' CG2' ' A' ' 93' ' ' VAL . 27.6 mm -74.25 -116.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.561 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 171.03 -52.32 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -161.91 -56.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.353 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.953 HD21 ' HG2' ' A' ' 104' ' ' GLU . 1.9 tm? -148.32 151.16 34.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.839 ' N ' HD13 ' A' ' 92' ' ' LEU . 96.5 t -138.95 120.92 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.457 ' HG2' HD11 ' A' ' 92' ' ' LEU . 3.2 mmt180 -90.26 114.76 26.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -104.84 113.96 27.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.527 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -65.5 128.84 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 p -101.3 173.2 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.74 -57.59 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -39.49 -31.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.94 -44.06 1.27 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 133.24 51.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -78.93 135.22 36.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.566 HD21 ' O ' ' A' ' 77' ' ' TYR . 42.3 mt -88.59 133.4 34.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.953 ' HG2' HD21 ' A' ' 92' ' ' LEU . 1.3 tt0 -96.98 130.61 44.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.98 125.89 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.1 p -131.23 178.45 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.603 HD13 HG22 ' A' ' 112' ' ' VAL . 14.6 tp -134.17 108.14 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.04 137.36 42.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 96.4 m-20 59.61 17.93 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.5 t-20 74.89 22.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.3 t -116.06 140.48 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.603 HG22 HD13 ' A' ' 107' ' ' LEU . 75.0 t -99.16 136.0 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.49 152.96 48.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.542 HG13 HD21 ' A' ' 138' ' ' LEU . 6.6 p -134.82 110.82 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 5.6 m120 68.75 30.75 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 74.05 27.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.654 ' OE1' HD23 ' A' ' 138' ' ' LEU . 5.1 mt-10 -118.99 142.79 32.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.2 Cg_endo -74.98 135.53 19.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 133' ' ' VAL . 53.5 t -91.45 151.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.82 -69.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -143.88 87.65 7.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.516 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.1 Cg_endo -75.03 177.61 8.37 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.42 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 7.1 t0 73.8 56.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.801 HD11 HG23 ' A' ' 133' ' ' VAL . 10.4 mt -109.34 92.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.3 mmt -67.07 132.96 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.02 -169.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -93.92 2.15 56.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.411 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -175.6 49.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.0 -159.01 27.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.02 170.42 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.836 ' CG2' HG23 ' A' ' 11' ' ' VAL . 40.4 t -147.83 152.78 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.846 ' HE1' HG12 ' A' ' 85' ' ' VAL . 84.7 m-70 -138.64 102.02 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.801 HG23 HD11 ' A' ' 124' ' ' ILE . 98.2 t -59.89 126.95 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 136' ' ' ASN . 12.9 pt -105.0 165.82 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.563 ' HA ' HG23 ' A' ' 49' ' ' THR . 30.8 p -111.1 29.56 7.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.486 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.9 OUTLIER 175.42 147.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.423 HG23 ' HB1' ' A' ' 52' ' ' ALA . 93.3 t -74.27 127.66 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.654 HD23 ' OE1' ' A' ' 117' ' ' GLU . 23.8 mt -75.66 161.34 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -141.13 150.38 58.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.467 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.95 144.23 30.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.533 1.807 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.57 -179.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -48.09 157.31 0.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 175.7 10.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.83 -60.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 82.6 p -54.12 129.36 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.85 115.24 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -173.31 162.71 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.95 -176.24 22.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.07 92.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.989 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.39 117.29 19.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.74 -169.75 13.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mtm -154.57 -167.0 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 0.808 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.0 104.76 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.735 HG22 HG22 ' A' ' 127' ' ' THR . 3.2 p -68.48 155.26 40.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.671 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.71 -51.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.756 ' SD ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -56.79 -47.88 79.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.0 m-20 -62.28 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -49.24 -34.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.53 -41.33 55.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HG2' HG11 ' A' ' 25' ' ' VAL . 16.6 mttt -65.38 -46.73 78.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.3 -46.15 80.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.29 137.8 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -84.46 -41.07 16.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -42.25 -41.92 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -108.01 58.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -89.17 -45.48 9.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.963 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -36.87 80.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.578 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.2 tp -58.11 -55.43 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.576 HG11 ' HG2' ' A' ' 16' ' ' LYS . 44.2 t -44.12 -54.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.12 -46.76 4.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.852 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.32 -45.14 92.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.677 HG22 ' OG1' ' A' ' 34' ' ' THR . 26.6 mt -60.3 -57.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -52.34 47.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -45.59 93.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.493 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -63.12 -33.14 74.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 86.14 41.12 7.19 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 75' ' ' LEU . 2.5 mt -109.13 -18.42 13.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.736 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.756 HG23 ' SD ' ' A' ' 12' ' ' MET . 9.9 m -49.95 -37.62 32.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.5 mt-10 -63.09 -58.39 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -49.03 -36.73 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 mt -81.5 -22.51 37.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLU . 2.9 t-20 -68.68 -32.84 72.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -78.71 141.95 37.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.74 155.11 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.67 -139.79 7.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -150.8 130.37 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.501 ' HB3' HG23 ' A' ' 79' ' ' ILE . 61.9 m-85 -156.95 117.91 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.1 m -85.44 102.05 13.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.641 HG13 HG13 ' A' ' 79' ' ' ILE . 2.7 t -104.82 157.25 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 95.2 m-85 -129.98 111.19 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.578 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -103.99 117.6 59.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -75.04 -172.51 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 p -91.71 -168.77 2.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.35 -52.54 8.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -14.26 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -65.68 -59.26 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 40.3 m-85 -58.79 -37.64 76.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -62.67 -26.51 68.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -66.16 -36.71 83.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.581 HD11 HG11 ' A' ' 137' ' ' VAL . 65.8 mt -52.69 151.78 7.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 174.08 13.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.27 -63.09 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.88 -43.48 49.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -53.84 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' GLY . 3.8 t -44.8 -34.24 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -67.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.475 HD11 HG13 ' A' ' 74' ' ' ILE . 13.5 mt -57.0 -53.7 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.71 -16.9 44.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.16 -92.57 1.04 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.64 142.47 57.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.98 -45.81 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -57.76 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.19 -41.37 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.852 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -53.18 -69.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.493 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -46.65 -42.12 15.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -45.3 -55.44 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.475 HG13 HD11 ' A' ' 64' ' ' LEU . 27.8 mm -58.65 -51.35 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.8 mt -51.21 -47.14 62.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -53.87 -49.6 68.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.453 ' O ' HD21 ' A' ' 103' ' ' LEU . 63.5 t80 -69.44 -6.31 29.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.6 m80 -98.31 -21.26 16.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.649 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.813 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.0 mt -102.0 147.16 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.678 ' HA3' HD21 ' A' ' 95' ' ' LEU . . . -112.39 166.74 12.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -99.3 28.47 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -177.94 163.26 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.689 HD12 HG12 ' A' ' 130' ' ' VAL . 14.4 mm -88.88 131.35 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.452 ' C ' HD23 ' A' ' 84' ' ' LEU . 8.6 tt -130.01 119.52 23.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.96 159.57 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.5 p -71.4 59.25 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.91 52.22 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.16 66.39 1.08 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.632 HG23 ' CG2' ' A' ' 93' ' ' VAL . 19.7 mm -74.7 -115.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.575 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 170.4 -52.99 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.72 -69.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.464 HD11 ' HG2' ' A' ' 104' ' ' GLU . 3.2 tp -136.81 126.46 25.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.632 ' CG2' HG23 ' A' ' 89' ' ' ILE . 74.3 t -110.05 144.38 18.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -107.86 108.95 20.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.678 HD21 ' HA3' ' A' ' 80' ' ' GLY . 5.7 tt -93.54 133.71 36.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -88.42 109.75 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.7 t -86.37 175.2 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.56 -36.79 13.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -48.47 -32.25 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.87 -45.51 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.31 130.5 40.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 131.8 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.453 HD21 ' O ' ' A' ' 77' ' ' TYR . 10.9 mt -77.32 164.77 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.464 ' HG2' HD11 ' A' ' 92' ' ' LEU . 2.1 mt-10 -129.82 129.74 44.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 113' ' ' SER . 2.5 t -143.3 122.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 p -129.76 164.53 23.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.832 HD12 ' O ' ' A' ' 111' ' ' VAL . 26.7 tp -127.45 113.17 15.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.47 146.93 46.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 45.8 m-80 56.74 19.17 4.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 7.8 t-20 76.88 11.58 2.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.832 ' O ' HD12 ' A' ' 107' ' ' LEU . 5.8 t -108.54 146.62 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.82 HG22 HD13 ' A' ' 107' ' ' LEU . 66.5 t -96.56 135.3 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.5 OUTLIER -127.84 149.25 50.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.051 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.649 HG13 HD21 ' A' ' 138' ' ' LEU . 9.9 p -134.72 110.76 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.45 HD22 ' CD2' ' A' ' 103' ' ' LEU . 9.8 m120 67.78 31.24 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.37 34.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.41 142.87 44.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.39 20.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 133' ' ' VAL . 73.9 t -92.6 146.42 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.824 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -75.84 -64.61 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -149.23 88.63 5.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.483 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.93 174.22 13.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.462 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 0.1 OUTLIER 75.15 58.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.783 ' CD1' HG23 ' A' ' 133' ' ' VAL . 10.4 mt -110.43 93.08 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.81 125.39 26.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -106.9 -169.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.735 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -95.77 9.06 41.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.407 ' OD1' ' HA ' ' A' ' 10' ' ' THR . 14.4 p-10 -179.45 52.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.49 -158.72 27.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.689 HG12 HD12 ' A' ' 83' ' ' ILE . 4.1 p -141.89 170.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.715 HG12 HD12 ' A' ' 124' ' ' ILE . 39.5 t -148.78 151.97 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 87.1 m-70 -138.37 99.69 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.615 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.824 HG12 ' HB3' ' A' ' 120' ' ' ALA . 84.1 t -57.54 129.9 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.1 pt -107.59 171.2 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 120' ' ' ALA . 39.4 p -117.31 26.44 9.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER -177.26 148.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.581 HG11 HD11 ' A' ' 56' ' ' LEU . 68.8 t -76.9 107.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.649 HD21 HG13 ' A' ' 114' ' ' VAL . 14.2 mt -55.89 160.88 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -141.84 152.61 62.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.94 125.67 9.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 28.6 t -47.96 -48.85 31.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -99.37 175.91 28.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.75 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 10.1 m 63.23 83.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.939 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 m -167.16 109.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 111.016 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.44 155.47 50.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.95 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.36 169.03 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.4 164.32 11.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -146.29 58.98 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 p -162.16 155.61 20.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.25 176.59 0.11 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttt -127.65 -159.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.86 123.5 0.66 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.956 HG22 ' OG1' ' A' ' 127' ' ' THR . 5.2 p -64.84 154.93 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.419 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.95 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.02 -54.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.702 ' SD ' HG21 ' A' ' 28' ' ' ILE . 5.9 mmm -62.51 -49.55 74.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' LYS . 25.1 m-20 -55.18 -45.09 75.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -46.59 -28.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 47' ' ' ALA . 4.0 mt -87.92 -36.08 17.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.615 ' HG2' HG11 ' A' ' 25' ' ' VAL . 13.2 mttt -67.52 -37.16 82.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.51 -59.43 7.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -67.64 125.99 27.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -71.19 -32.97 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.19 -37.39 4.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.6 m-85 -113.19 49.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 p -80.72 -52.37 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -45.88 67.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 9.8 tp -52.23 -55.88 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.707 ' HA ' HD12 ' A' ' 28' ' ' ILE . 55.4 t -41.23 -59.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -39.32 -39.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.733 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -61.25 -55.67 29.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 25' ' ' VAL . 3.4 mt -54.58 -51.39 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.18 -47.32 72.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -49.62 68.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB3' HD12 ' A' ' 75' ' ' LEU . . . -59.96 -32.7 71.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 82.54 46.47 6.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 36' ' ' THR . 4.0 mt -108.82 -14.52 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.7 m -47.65 -61.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.434 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.45 -51.0 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 33' ' ' LEU . 1.1 m -51.07 -50.44 58.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.481 HD13 ' HG2' ' A' ' 12' ' ' MET . 8.1 mt -77.58 -9.49 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.2 t-20 -90.9 19.47 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -126.47 145.19 50.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -57.09 151.35 15.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.477 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 142.62 -128.93 3.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.488 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.1 m -153.39 131.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -154.22 115.97 4.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' GLY . 3.6 m -94.0 101.97 14.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.544 HG13 HG13 ' A' ' 79' ' ' ILE . 3.5 t -107.11 154.93 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 89.1 m-85 -126.93 113.27 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.703 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -105.94 116.95 58.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.1 Cg_endo -75.03 -174.18 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.489 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 12.3 p -98.62 -176.19 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -69.83 -43.89 71.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -14.81 22.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -74.61 -67.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.56 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 70.6 m-85 -57.09 -29.11 63.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -29.99 71.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.15 -41.32 64.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 56' ' ' LEU . 9.3 mt -43.42 135.68 3.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.02 174.65 12.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.48 20.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.815 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -82.49 -44.78 15.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -19.65 53.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -67.32 -77.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -20.1 3.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -55.7 22.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.59 -46.56 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.16 -14.95 28.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.2 -86.72 1.86 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.85 131.26 50.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.21 -47.84 15.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -40.51 -59.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.86 -41.19 95.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.733 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -52.98 -67.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.67 -41.05 41.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.69 -47.97 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.7 mm -66.93 -49.6 72.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.838 ' O ' HD12 ' A' ' 79' ' ' ILE . 9.4 mt -52.93 -44.86 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -54.9 -45.82 74.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.424 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 84.5 t80 -72.76 -9.24 58.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.9 m80 -96.53 -18.93 19.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.63 143.89 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -112.52 156.03 15.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -97.42 41.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 0.805 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' HG2' HD21 ' A' ' 95' ' ' LEU . 2.3 pt-20 175.02 157.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.488 HG12 ' CG1' ' A' ' 42' ' ' VAL . 12.6 mm -92.83 125.1 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 2.7 tt -132.14 120.54 22.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.536 HG12 ' HE1' ' A' ' 132' ' ' HIS . 30.8 m -134.11 168.07 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.4 p -75.97 67.38 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -131.05 -58.32 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.93 63.53 0.58 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.578 HG22 ' N ' ' A' ' 90' ' ' GLY . 26.7 mm -73.82 -111.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.578 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 128.63 62.4 0.12 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 74.51 -71.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.88 HD13 ' N ' ' A' ' 93' ' ' VAL . 2.2 tm? -147.97 151.37 35.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.243 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.88 ' N ' HD13 ' A' ' 92' ' ' LEU . 42.4 t -143.66 145.34 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -105.15 104.51 14.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -88.92 111.9 22.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.493 ' N ' HD23 ' A' ' 95' ' ' LEU . 23.6 tttt -69.94 127.42 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.67 149.16 25.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 98' ' ' LEU . 7.2 mp -50.25 -47.09 55.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.424 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 59.5 tp60 -43.5 -37.7 2.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.11 -46.97 1.04 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.94 130.79 43.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 136.26 39.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.1 mt -92.6 143.46 26.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.861 ' HG2' HD21 ' A' ' 92' ' ' LEU . 1.1 tt0 -94.91 130.18 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -145.51 124.96 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 p -139.18 177.26 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.4 tp -129.1 108.61 10.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.36 136.55 39.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.76 18.6 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.8 t30 72.07 22.48 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.2 t -116.74 136.32 54.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.365 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.77 136.37 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.64 152.4 51.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.033 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.424 HG13 HD21 ' A' ' 138' ' ' LEU . 5.9 p -137.74 104.72 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.417 ' ND2' HD22 ' A' ' 138' ' ' LEU . 2.5 m-20 74.11 35.24 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 2.9 mtmp? 68.77 28.98 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.65 ' OE1' HD23 ' A' ' 138' ' ' LEU . 4.2 mt-10 -120.21 140.56 30.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.2 Cg_endo -74.98 134.32 17.7 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 133' ' ' VAL . 54.0 t -90.36 152.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.65 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -85.17 -71.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.427 ' O ' HD11 ' A' ' 124' ' ' ILE . 44.0 mt-10 -140.06 87.96 12.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -74.99 -177.91 3.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.5 65.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.86 HD11 HG23 ' A' ' 133' ' ' VAL . 29.1 mt -112.07 94.39 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.429 ' CE ' ' HA ' ' A' ' 125' ' ' MET . 7.0 mmt -56.76 133.33 54.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -121.47 -166.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.956 ' OG1' HG22 ' A' ' 10' ' ' THR . 29.8 p -82.43 -42.55 18.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.95 45.99 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.631 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 172.0 -167.13 40.1 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -136.45 170.21 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.95 ' CG2' HG23 ' A' ' 11' ' ' VAL . 15.4 t -148.69 144.2 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 79.3 m-70 -131.44 99.3 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.641 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.86 HG23 HD11 ' A' ' 124' ' ' ILE . 62.0 t -60.43 123.76 13.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.3 pt -100.76 170.55 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.65 HG22 ' HB2' ' A' ' 120' ' ' ALA . 70.0 p -115.83 24.25 11.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.624 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.4 OUTLIER -175.38 148.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.44 121.84 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.65 HD23 ' OE1' ' A' ' 117' ' ' GLU . 20.7 mt -72.29 162.09 29.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -143.88 148.58 42.95 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.02 172.59 16.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.74 100.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.03 -161.31 14.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -174.41 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.96 167.68 20.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 m -81.65 143.26 32.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.56 117.3 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.31 -58.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.76 82.17 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.11 164.89 36.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m -99.23 77.41 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.44 147.16 40.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.42 128.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.571 ' O ' HG21 ' A' ' 127' ' ' THR . . . -97.98 -135.59 8.82 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.565 1.165 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.526 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -151.6 -166.15 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.39 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 1.061 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -47.3 -51.48 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.762 ' SD ' HD13 ' A' ' 28' ' ' ILE . 6.1 mmm -60.69 -63.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -47.28 -45.59 24.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 10' ' ' THR . 3.8 t -45.62 -31.81 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.475 HD22 ' CB ' ' A' ' 47' ' ' ALA . 9.8 mt -81.31 -38.56 26.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HG2' HG11 ' A' ' 25' ' ' VAL . 1.4 mtpt -62.51 -46.28 89.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.06 -47.5 60.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -80.74 132.21 35.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 0.767 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.94 -35.28 57.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.1 -39.56 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.5 57.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -68.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.2 mtp -40.47 -38.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 12.4 tp -58.43 -58.55 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.866 ' HA ' HD12 ' A' ' 28' ' ' ILE . 22.4 t -42.68 -57.86 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.66 -44.69 4.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.913 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -56.42 -44.76 80.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 25' ' ' VAL . 7.1 mt -66.31 -50.94 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -50.54 -48.34 57.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -32.0 65.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.494 ' CB ' HD12 ' A' ' 75' ' ' LEU . . . -70.78 -29.26 65.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 76.56 39.65 29.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mt -106.6 -19.26 13.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' ASN . 49.7 m -44.58 -57.15 3.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -48.11 62.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -26.27 64.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.477 HD23 ' CG ' ' A' ' 43' ' ' TYR . 9.4 mt -102.34 -1.29 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -107.11 22.15 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -121.24 141.25 51.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -46.54 129.45 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.03 -140.86 7.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -148.57 137.99 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.356 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CG ' HD23 ' A' ' 37' ' ' LEU . 91.7 m-85 -156.19 116.13 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.9 m -90.43 110.97 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 79' ' ' ILE . 8.7 t -115.57 157.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 91.9 m-85 -126.35 115.61 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -107.46 116.58 57.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.556 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.99 -177.28 3.36 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.599 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 2.9 p -93.15 172.25 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -61.83 -46.28 90.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.55 -22.84 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -64.15 -57.0 10.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 71.2 m-85 -64.06 -42.37 97.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -55.42 -20.67 12.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -80.17 -42.88 22.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 137' ' ' VAL . 10.8 mt -44.31 140.85 2.82 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -74.97 173.57 14.27 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -8.43 20.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -91.28 -45.89 8.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.168 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.21 -17.33 59.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -70.55 -75.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 66' ' ' GLY . 32.9 t -55.92 -24.76 39.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 1.4 mmm180 -59.35 -44.5 92.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.8 mt -96.01 -47.04 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.426 HD12 ' HG2' ' A' ' 61' ' ' ARG . 66.4 mt -60.73 -25.31 66.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -90.22 -76.93 1.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 129.06 38.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.51 -36.53 24.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.9 -56.18 17.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -62.86 -41.66 99.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.913 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -46.53 -69.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -47.01 -51.89 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' ALA . 5.0 t-20 -39.88 -46.73 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.9 mm -67.91 -52.2 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.494 HD12 ' CB ' ' A' ' 31' ' ' ALA . 6.3 mt -51.27 -54.73 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -44.85 -52.37 8.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.825 ' O ' HD11 ' A' ' 103' ' ' LEU . 79.6 t80 -63.24 -25.49 68.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.6 m80 -80.82 -20.91 41.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.565 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.579 HG12 HG22 ' A' ' 45' ' ' VAL . 3.9 mt -101.59 148.9 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.02 -175.49 18.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -120.82 33.27 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -179.96 161.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.736 HG23 ' HB ' ' A' ' 130' ' ' VAL . 5.2 mm -92.17 121.51 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 84' ' ' LEU . 8.8 tt -123.49 121.63 36.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.482 ' CG1' HG21 ' A' ' 130' ' ' VAL . 18.2 m -134.18 154.84 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.418 ' HB2' HD22 ' A' ' 107' ' ' LEU . 94.4 p -71.71 65.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -103.11 -41.06 2.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.72 80.73 0.18 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.1 mm -104.7 103.68 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.29 -33.71 85.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -171.78 -68.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.248 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.84 HD13 ' N ' ' A' ' 93' ' ' VAL . 1.9 tm? -140.57 151.98 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.84 ' N ' HD13 ' A' ' 92' ' ' LEU . 43.1 t -137.03 145.45 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -108.15 106.13 16.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.541 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -90.58 115.38 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.541 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -68.84 126.12 28.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 p -91.81 178.07 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.2 mt -85.94 -22.34 27.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.458 ' HA ' ' NE2' ' A' ' 99' ' ' GLN . 14.8 tp60 -79.93 1.24 28.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 99.35 -46.04 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.38 144.68 56.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' CG ' ' HG3' ' A' ' 96' ' ' LYS . 1.3 mptt -99.29 125.77 44.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.825 HD11 ' O ' ' A' ' 77' ' ' TYR . 16.8 mt -76.81 155.97 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.749 ' HG2' HD21 ' A' ' 92' ' ' LEU . 2.5 mt-10 -109.55 132.39 54.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.41 ' O ' HD22 ' A' ' 92' ' ' LEU . 2.1 t -143.55 129.59 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.84 166.06 25.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.044 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 112' ' ' VAL . 28.8 tp -121.12 111.41 17.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -135.68 137.54 41.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 90.2 m-20 60.5 18.72 8.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 3.9 t-20 76.22 11.58 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.81 139.93 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.551 HG22 HD13 ' A' ' 107' ' ' LEU . 88.3 t -96.58 143.76 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.58 153.0 51.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -136.67 104.45 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.1 m120 74.21 35.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt 70.05 25.53 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.833 ' OE1' HD23 ' A' ' 138' ' ' LEU . 3.7 mt-10 -117.31 140.84 27.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -75.01 132.86 15.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 133' ' ' VAL . 93.8 t -91.2 158.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.555 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -89.46 -77.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -131.64 86.04 50.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.85 5.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 t0 69.41 60.21 0.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.75 HD12 HG12 ' A' ' 131' ' ' VAL . 19.5 mt -110.41 92.7 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.86 130.49 43.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -114.06 171.55 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.571 HG21 ' O ' ' A' ' 9' ' ' GLY . 58.6 p -71.59 -14.34 62.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.31 49.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.782 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 155.32 -173.04 33.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.736 ' HB ' HG23 ' A' ' 83' ' ' ILE . 4.5 p -131.48 170.21 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 1.061 ' CG2' HG23 ' A' ' 11' ' ' VAL . 26.1 t -148.48 153.6 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.587 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 53.5 m-70 -141.05 98.41 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.663 HG23 ' CD1' ' A' ' 124' ' ' ILE . 88.2 t -58.84 120.56 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.2 pt -99.18 171.49 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 120' ' ' ALA . 76.2 p -119.86 22.43 11.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.46 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.6 OUTLIER -169.33 147.64 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.59 HG11 HD11 ' A' ' 56' ' ' LEU . 67.2 t -75.74 114.41 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.833 HD23 ' OE1' ' A' ' 117' ' ' GLU . 17.0 mt -68.11 157.89 34.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -142.91 148.17 44.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.98 167.39 27.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.4 p -66.48 134.91 53.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 155.89 177.28 28.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.137 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 107.0 2.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 57.9 p -132.1 90.42 2.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.3 t 58.53 164.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.82 103.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 0.725 . . . . 0.0 109.982 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -176.51 151.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.09 136.46 3.35 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.5 OUTLIER -97.5 91.43 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.977 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER 79.61 -68.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.051 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.59 -64.44 3.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.18 127.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.22 97.15 0.38 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.43 1.081 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.672 HG22 HG22 ' A' ' 127' ' ' THR . 3.7 p -59.79 157.65 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.83 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.85 -53.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.748 ' SD ' HD13 ' A' ' 28' ' ' ILE . 8.3 mmm -57.9 -45.73 86.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -57.99 -41.54 83.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.6 -28.99 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 12' ' ' MET . 12.5 mt -81.34 -35.5 30.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.686 ' HG2' HG11 ' A' ' 25' ' ' VAL . 16.4 mttt -69.36 -46.14 67.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.6 -49.91 59.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.18 125.82 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.364 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -73.81 -33.62 64.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -48.81 -39.61 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -107.91 54.74 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.7 p -87.89 -61.41 1.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.953 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.56 -27.79 0.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.5 tp -67.56 -57.92 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.686 HG11 ' HG2' ' A' ' 16' ' ' LYS . 72.4 t -42.87 -52.26 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.16 -47.73 6.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.933 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.2 -46.58 88.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.748 HD13 ' SD ' ' A' ' 12' ' ' MET . 70.3 mt -63.43 -52.8 53.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.87 -43.42 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -43.87 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.13 72.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.43 40.14 7.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 mt -106.99 -16.98 14.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.422 ' OG1' HG22 ' A' ' 28' ' ' ILE . 3.3 m -48.23 -36.82 14.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -55.89 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -55.14 -21.55 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 mt -103.58 8.06 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.83 18.62 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -115.45 148.77 39.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.47 114.98 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.07 -137.78 4.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.8 m -148.18 135.78 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -156.14 117.09 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 m -92.13 105.02 17.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG13 HG13 ' A' ' 79' ' ' ILE . 3.5 t -108.87 157.4 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 72.8 m-85 -126.81 112.86 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.506 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.87 116.37 59.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.97 -170.8 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.531 1.806 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 2.6 p -94.28 -177.94 4.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -69.83 -48.54 58.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.92 -26.74 64.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -57.93 -59.91 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 50.0 m-85 -60.61 -39.04 86.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -61.27 -22.32 64.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -73.34 -39.48 65.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 mt -45.89 146.16 2.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -2.46 12.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.5 -61.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.09 -42.21 63.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -55.91 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -49.24 -22.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -69.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 HG13 ' A' ' 74' ' ' ILE . 14.7 mt -56.18 -54.51 44.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.73 -20.96 62.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.07 -88.8 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.79 138.62 58.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.246 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.01 -44.35 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.76 -62.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.23 -33.09 67.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.933 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -61.51 -70.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.18 -36.47 19.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -50.71 -54.44 23.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.435 HG13 HD11 ' A' ' 64' ' ' LEU . 31.9 mm -61.24 -52.62 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.837 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.1 mt -50.57 -45.82 57.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -54.52 -50.75 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.426 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 81.2 t80 -70.68 -4.39 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.2 m80 -101.12 -19.77 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.586 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.82 146.51 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -114.81 154.01 17.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.493 ' CG ' ' CD1' ' A' ' 98' ' ' LEU . 5.7 m-20 -94.19 41.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 172.96 160.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.568 HG23 ' CG1' ' A' ' 130' ' ' VAL . 4.4 mm -89.41 136.53 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.649 ' C ' HD23 ' A' ' 84' ' ' LEU . 5.4 tt -139.35 119.76 13.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.539 ' CG1' HG21 ' A' ' 130' ' ' VAL . 15.9 m -137.75 157.01 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.5 p -75.17 57.19 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.935 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -107.03 54.8 0.55 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.71 63.43 0.89 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.658 HG23 ' CG2' ' A' ' 93' ' ' VAL . 24.1 mm -71.05 -118.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.544 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 169.88 -52.86 0.2 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -163.23 -56.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 0.805 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.884 HD22 ' H ' ' A' ' 93' ' ' VAL . 1.7 tm? -148.56 147.0 28.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.884 ' H ' HD22 ' A' ' 92' ' ' LEU . 90.8 t -133.43 120.37 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -92.96 117.76 30.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 96' ' ' LYS . 1.6 tt -103.84 116.99 33.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.535 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -73.07 110.65 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 154.11 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 98' ' ' LEU . 5.2 mp -63.2 -32.0 73.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.426 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -56.28 -33.57 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.21 -47.03 1.04 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.53 127.96 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 134.16 44.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.4 136.73 32.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.735 ' HG2' HD21 ' A' ' 92' ' ' LEU . 1.9 mt-10 -93.53 130.0 39.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.455 ' O ' HD22 ' A' ' 92' ' ' LEU . 2.5 t -144.48 124.04 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 p -134.32 174.12 10.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.0 tp -128.05 112.14 14.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -137.79 139.75 40.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 10.7 t-20 58.03 17.57 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER 75.92 19.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 t -114.16 148.53 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.32 140.63 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.9 OUTLIER -136.1 153.47 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.642 HG13 HD21 ' A' ' 138' ' ' LEU . 3.1 p -135.72 116.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 14.0 m120 64.15 26.71 13.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.32 35.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 113' ' ' SER . 1.6 mt-10 -126.53 142.73 43.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.09 19.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 133' ' ' VAL . 59.7 t -93.77 146.85 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.703 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -78.39 -65.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.568 ' O ' HD11 ' A' ' 124' ' ' ILE . 9.0 mt-10 -146.86 89.16 5.75 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.5 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.2 Cg_endo -74.98 -177.5 3.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.431 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 9.3 m-20 63.91 65.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.739 ' CD1' HG23 ' A' ' 133' ' ' VAL . 13.1 mt -116.76 93.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.55 125.19 24.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -105.8 -170.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.672 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -94.74 10.65 34.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.401 ' OD1' ' HA ' ' A' ' 10' ' ' THR . 10.4 p-10 176.03 49.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 149.73 -157.17 27.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.568 ' CG1' HG23 ' A' ' 83' ' ' ILE . 9.9 p -142.23 170.1 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.83 ' CG2' HG23 ' A' ' 11' ' ' VAL . 29.3 t -148.83 150.77 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.606 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 84.7 m-70 -139.11 96.86 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.739 HG23 ' CD1' ' A' ' 124' ' ' ILE . 67.7 t -56.99 127.74 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -105.75 170.58 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.597 HG22 ' HB2' ' A' ' 120' ' ' ALA . 13.7 p -115.23 23.9 12.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.55 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -178.1 142.85 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.59 124.96 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.642 HD21 HG13 ' A' ' 114' ' ' VAL . 21.3 mt -73.62 162.49 29.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -141.23 153.99 67.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -178.94 4.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.0 t -41.69 124.79 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 157.39 164.03 13.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.85 5.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.0 p -177.12 128.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.5 t -50.29 -58.41 5.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -94.93 102.29 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.78 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -90.82 -58.36 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.5 118.54 0.44 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -176.84 147.25 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -79.27 -55.99 4.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.99 176.2 50.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttm -129.71 -160.1 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.764 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.62 ' O ' HG21 ' A' ' 127' ' ' THR . . . -178.86 -127.86 1.13 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.418 HG23 ' C ' ' A' ' 9' ' ' GLY . 80.5 p -150.92 176.88 10.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.363 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.998 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -40.69 -51.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.71 ' HG2' HD13 ' A' ' 37' ' ' LEU . 1.9 mmm -61.33 -62.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.8 t0 -46.99 -44.17 19.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 11' ' ' VAL . 2.8 t -47.34 -36.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.485 HD22 ' CB ' ' A' ' 47' ' ' ALA . 7.9 mt -74.63 -34.24 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.573 ' HA ' HG21 ' A' ' 25' ' ' VAL . 3.8 mtpt -64.37 -36.67 84.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.31 -55.7 28.67 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.58 133.25 46.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -77.86 -35.34 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -45.27 -42.95 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -103.72 49.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.1 m -80.97 -67.49 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.2 mtp -40.55 -37.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.616 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.3 tp -60.37 -52.31 65.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.573 HG21 ' HA ' ' A' ' 16' ' ' LYS . 8.0 t -46.77 -59.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -40.09 -43.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -56.48 -60.7 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.677 HG13 HD13 ' A' ' 75' ' ' LEU . 3.2 mt -49.44 -55.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -46.55 52.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -47.25 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.14 -33.23 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.63 36.99 9.87 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 mt -100.31 -22.47 15.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.8 m -44.8 -57.19 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -43.24 -58.17 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -49.13 -54.47 16.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.71 HD13 ' HG2' ' A' ' 12' ' ' MET . 5.4 mt -69.57 -9.1 52.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -81.76 -23.44 36.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -87.39 146.27 25.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.77 151.29 14.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.514 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 150.25 -135.08 5.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 41' ' ' GLY . 2.4 m -154.53 130.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -156.31 117.39 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 m -88.83 107.11 18.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.568 HG13 HG13 ' A' ' 79' ' ' ILE . 5.4 t -109.65 157.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.596 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 94.3 m-85 -127.71 113.7 16.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.497 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.59 116.56 58.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.554 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.1 Cg_endo -75.0 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 p -86.57 -171.9 3.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.66 -44.65 27.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.31 -25.61 68.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -55.02 -64.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.554 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 51.5 m-85 -54.49 -50.39 67.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -23.9 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -70.36 -32.8 70.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -57.14 149.52 45.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.85 13.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.26 -61.4 1.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.16 -44.39 64.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' C ' ' N ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -54.93 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -43.97 -27.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -69.53 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.26 -50.01 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -64.09 -16.56 62.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.47 -88.61 1.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.29 136.85 58.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -82.85 -47.12 12.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -61.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -28.87 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -62.32 -66.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.13 -41.16 62.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.41 -48.54 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.469 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 31.0 mm -67.69 -56.91 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 79' ' ' ILE . 5.7 mt -45.55 -50.4 13.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -49.28 -52.74 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.663 ' O ' HD21 ' A' ' 103' ' ' LEU . 92.9 t80 -64.63 -19.05 65.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -86.47 -20.7 27.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.4 mt -102.09 143.66 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.43 170.76 13.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -112.64 48.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HG2' HD21 ' A' ' 95' ' ' LEU . 2.1 pt-20 170.94 156.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.71 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.8 mm -92.05 108.13 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 84' ' ' LEU . 6.8 tt -120.31 121.99 39.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.223 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.789 HG12 ' HE1' ' A' ' 132' ' ' HIS . 25.6 m -136.71 171.27 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 p -72.42 59.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.4 70.49 0.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.24 50.17 0.73 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.61 HG22 ' N ' ' A' ' 90' ' ' GLY . 9.5 mm -74.2 -112.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 0.802 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.61 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 134.71 59.53 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 75.98 -70.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.818 HD13 ' N ' ' A' ' 93' ' ' VAL . 1.8 tm? -147.98 151.6 36.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.818 ' N ' HD13 ' A' ' 92' ' ' LEU . 17.7 t -141.38 147.89 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.83 106.41 16.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -88.66 115.84 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.564 ' N ' HD23 ' A' ' 95' ' ' LEU . 35.2 tttt -69.3 122.87 19.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.0 t -98.87 -178.53 3.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 mt -88.73 -45.92 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -48.84 -30.49 5.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.01 -46.23 1.09 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.39 132.28 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.62 133.58 35.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.663 HD21 ' O ' ' A' ' 77' ' ' TYR . 8.3 mt -85.01 134.14 34.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.553 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -91.29 130.22 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.31 125.41 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 p -135.47 178.07 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 111' ' ' VAL . 45.2 tp -135.08 106.51 6.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -129.55 138.27 51.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 15.9 t30 59.98 18.33 7.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 19.3 t30 76.8 14.6 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.557 ' O ' HD12 ' A' ' 107' ' ' LEU . 15.7 t -109.83 150.52 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.2 t -104.17 145.82 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.89 150.76 43.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.489 HG13 HD21 ' A' ' 138' ' ' LEU . 3.4 p -136.71 105.8 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.6 m120 73.97 32.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 71.89 29.04 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.645 ' OE1' HD23 ' A' ' 138' ' ' LEU . 2.6 mt-10 -120.67 140.03 29.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -75.01 135.1 18.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 133' ' ' VAL . 98.8 t -94.08 158.2 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.572 ' HB2' ' CG2' ' A' ' 135' ' ' THR . . . -87.29 -79.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.509 ' O ' HD11 ' A' ' 124' ' ' ILE . 2.6 mm-40 -127.75 85.96 59.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 123' ' ' ASP . 18.4 Cg_endo -74.96 172.95 15.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 8.7 t0 75.92 56.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.77 ' CD1' HG23 ' A' ' 133' ' ' VAL . 14.5 mt -109.84 92.66 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.92 131.22 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -109.31 -176.57 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.62 HG21 ' O ' ' A' ' 9' ' ' GLY . 3.9 p -79.85 -10.4 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.404 ' OD1' ' HB ' ' A' ' 10' ' ' THR . 5.9 p-10 -164.82 51.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.47 -167.8 30.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.71 ' HB ' HG23 ' A' ' 83' ' ' ILE . 1.8 p -133.55 170.4 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.998 ' CG2' HG23 ' A' ' 11' ' ' VAL . 30.2 t -147.51 156.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.789 ' HE1' HG12 ' A' ' 85' ' ' VAL . 81.3 m-70 -143.95 99.03 3.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.417 1.073 . . . . 0.0 109.614 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.77 HG23 ' CD1' ' A' ' 124' ' ' ILE . 90.6 t -59.82 122.0 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.3 pt -100.48 171.08 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.572 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 40.7 p -119.09 21.98 12.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.404 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.2 OUTLIER -172.43 138.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.68 121.6 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.645 HD23 ' OE1' ' A' ' 117' ' ' GLU . 16.8 mt -72.26 164.81 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -141.77 157.66 64.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.469 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 152.72 41.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.793 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -53.91 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 78.83 175.15 45.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -46.33 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 18.6 m -109.62 128.75 55.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.1 p -169.78 96.91 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -162.26 168.11 22.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 0.795 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -162.74 158.75 23.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.74 -179.33 20.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -129.03 106.51 8.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -166.15 165.84 17.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.7 -171.93 0.76 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtt -148.22 -164.7 2.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.73 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 91.89 94.24 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' VAL . 2.9 p -43.1 155.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.982 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.1 OUTLIER -36.61 -53.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.708 ' SD ' HD13 ' A' ' 28' ' ' ILE . 7.7 mmm -58.87 -51.86 68.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -45.11 67.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 9' ' ' GLY . 2.1 t -50.0 -25.63 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.666 HD22 ' CB ' ' A' ' 47' ' ' ALA . 5.7 mt -88.94 -35.32 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HA ' HG21 ' A' ' 25' ' ' VAL . 6.4 mtpt -70.92 -36.06 72.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.55 -43.13 98.5 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.05 129.96 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -73.71 -29.78 62.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.46 -41.83 53.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.9 m-85 -104.17 51.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 p -82.24 -66.23 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 78.5 mtp -40.44 -42.73 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 12.1 tp -56.43 -57.88 10.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 21' ' ' PHE . 36.7 t -41.01 -56.11 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.98 -49.78 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.364 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.886 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -49.73 -51.14 41.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.708 HD13 ' SD ' ' A' ' 12' ' ' MET . 68.3 mt -64.11 -62.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.71 -41.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -44.14 51.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . -61.67 -30.36 70.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.67 31.64 29.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -93.57 -20.99 19.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.476 ' OG1' HG22 ' A' ' 28' ' ' ILE . 17.4 m -43.69 -62.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.3 -61.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 m -45.43 -60.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD21 HG21 ' A' ' 79' ' ' ILE . 16.4 mt -62.75 -13.87 37.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.1 m-20 -91.54 21.24 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -127.91 143.38 51.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -55.48 139.08 44.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.51 -139.0 6.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 HG12 ' A' ' 83' ' ' ILE . 3.7 m -143.41 130.23 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.489 ' H ' HD11 ' A' ' 83' ' ' ILE . 63.6 m-85 -156.44 116.11 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.3 m -93.96 100.83 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.743 HG13 HG13 ' A' ' 79' ' ' ILE . 3.1 t -102.82 156.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.606 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 81.0 m-85 -129.23 110.76 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.666 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -104.01 116.68 61.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.3 Cg_endo -75.0 -163.18 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -101.04 -163.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -82.88 -50.65 8.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.35 -11.46 42.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -68.91 -48.07 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 31.1 m-85 -68.3 -45.31 73.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -51.01 -25.18 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -66.75 -37.76 85.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.767 HD11 HG11 ' A' ' 137' ' ' VAL . 35.1 mt -53.64 150.0 14.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.4 Cg_endo -74.94 162.04 37.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.92 7.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.496 ' O ' ' CD ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -97.91 -33.69 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.568 ' OE2' HD22 ' A' ' 56' ' ' LEU . 1.2 tt0 -94.8 -29.62 14.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -50.41 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.8 t -55.36 -45.34 76.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -44.29 -63.95 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.04 -50.31 66.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.97 -14.92 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -96.0 -87.83 1.78 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.68 128.64 37.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -81.77 -44.99 16.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.18 -57.98 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.65 -27.56 69.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.886 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.1 tt -67.03 -70.0 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.26 -35.22 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -55.27 -51.13 67.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 20.6 mm -63.48 -45.75 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.656 HD13 HG12 ' A' ' 28' ' ' ILE . 18.2 mt -58.58 -42.58 88.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -52.61 -49.71 64.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.789 ' O ' HD21 ' A' ' 103' ' ' LEU . 86.8 t80 -66.09 -17.2 64.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 13.8 m80 -89.9 -24.28 21.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.609 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.743 HG13 HG13 ' A' ' 45' ' ' VAL . 3.7 mt -101.52 144.06 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.22 174.79 16.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -111.37 38.88 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.7 pt-20 173.45 157.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.596 HD12 HG12 ' A' ' 130' ' ' VAL . 10.1 mm -89.58 130.52 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.685 ' C ' HD23 ' A' ' 84' ' ' LEU . 3.0 tt -136.63 119.71 16.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.654 ' N ' HD23 ' A' ' 84' ' ' LEU . 19.6 m -136.42 152.78 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.528 ' HB2' HD22 ' A' ' 107' ' ' LEU . 16.3 p -68.57 65.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.957 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -121.0 53.17 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.81 57.11 0.58 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.715 HG23 ' CG2' ' A' ' 93' ' ' VAL . 19.2 mm -76.34 -120.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.517 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 169.85 -49.3 0.21 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -166.33 -54.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 0.763 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 93' ' ' VAL . 2.0 tm? -148.37 149.67 32.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.776 ' N ' HD13 ' A' ' 92' ' ' LEU . 99.5 t -136.32 120.88 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -88.49 117.59 27.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.652 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -107.53 124.94 50.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.652 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -77.93 128.28 33.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -99.45 178.85 4.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.0 mt -86.85 -33.21 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -18.85 57.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.337 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 113.83 -37.42 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.24 141.36 43.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.93 123.79 35.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.789 HD21 ' O ' ' A' ' 77' ' ' TYR . 3.0 mt -78.32 141.63 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.562 ' HG2' HD21 ' A' ' 92' ' ' LEU . 3.1 mt-10 -97.08 132.43 42.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.487 ' O ' HD22 ' A' ' 92' ' ' LEU . 3.0 t -139.04 122.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -133.24 167.93 19.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.595 HD13 HG22 ' A' ' 112' ' ' VAL . 21.3 tp -123.6 111.76 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -135.28 138.31 43.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 4.6 m120 58.94 18.72 6.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.4 t-20 75.81 16.47 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.5 t -111.18 141.47 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.595 HG22 HD13 ' A' ' 107' ' ' LEU . 87.8 t -97.97 141.43 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.7 OUTLIER -135.44 154.86 51.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 5.2 p -137.38 104.12 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.455 HD22 ' HB3' ' A' ' 103' ' ' LEU . 2.1 m120 76.95 33.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.1 mttp 71.34 24.97 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.479 ' OE1' HD23 ' A' ' 138' ' ' LEU . 2.2 mt-10 -116.87 140.87 27.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -74.98 133.1 16.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 133' ' ' VAL . 71.0 t -87.8 156.26 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.608 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -86.99 -73.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.503 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.8 mt-10 -137.79 86.84 17.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.153 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 t70 74.13 55.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.711 ' CD1' HG23 ' A' ' 133' ' ' VAL . 11.1 mt -110.85 92.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -73.02 137.61 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.4 -166.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.434 ' OG1' HG22 ' A' ' 10' ' ' THR . 9.7 p -85.99 -2.85 58.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -178.89 44.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.239 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 166.82 -170.72 41.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.596 HG12 HD12 ' A' ' 83' ' ' ILE . 1.1 p -135.93 169.97 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.982 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.5 t -148.85 151.09 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.606 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 86.5 m-70 -138.28 96.78 3.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.625 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.711 HG23 ' CD1' ' A' ' 124' ' ' ILE . 86.5 t -56.75 124.55 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.1 pt -101.98 170.75 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.546 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 35.4 p -119.79 36.57 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.462 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 135' ' ' THR . 0.5 OUTLIER 172.82 150.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 56' ' ' LEU . 71.9 t -75.96 120.54 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 15.7 mt -73.53 160.53 31.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -137.11 150.32 68.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.01 123.03 7.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.445 1.76 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.47 113.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -80.78 157.05 39.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 94.75 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.4 94.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.77 112.46 5.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.037 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -134.18 -58.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.4 p -134.45 150.2 50.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.45 -144.67 4.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.77 82.01 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 0.775 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.04 -51.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.14 155.84 50.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt 62.4 126.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.3 102.66 0.62 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.86 HG22 HG22 ' A' ' 127' ' ' THR . 18.0 p -72.46 168.93 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.825 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.64 -56.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.697 ' SD ' HD13 ' A' ' 28' ' ' ILE . 10.5 mmm -49.22 -51.99 29.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -55.48 -50.7 69.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -45.25 -26.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 12' ' ' MET . 12.0 mt -84.81 -41.52 16.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.933 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.9 mttt -58.79 -50.03 75.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.33 -45.31 65.42 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.12 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.65 128.21 34.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -74.39 -45.93 43.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -39.76 -40.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -108.42 54.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.79 -61.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -22.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 10.6 tp -70.4 -58.14 4.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.933 HG11 ' HG2' ' A' ' 16' ' ' LYS . 86.8 t -43.18 -51.23 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.1 -42.86 9.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.922 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.92 -54.8 41.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.828 HD12 ' HA ' ' A' ' 25' ' ' VAL . 3.9 mt -53.47 -54.65 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -56.47 9.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -44.42 95.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.08 71.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.73 38.31 8.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.47 -26.96 12.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.582 HG22 ' ND2' ' A' ' 38' ' ' ASN . 16.5 m -40.56 -50.97 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.7 mm-40 -49.25 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -47.41 -53.94 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.54 -15.83 63.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.582 ' ND2' HG22 ' A' ' 34' ' ' THR . 3.9 m-20 -90.57 18.12 6.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -122.33 140.95 52.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.39 140.4 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 153.56 -134.68 4.48 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG1' HG12 ' A' ' 83' ' ' ILE . 7.3 m -151.5 130.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -156.02 116.86 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 80' ' ' GLY . 17.8 m -92.04 109.81 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 79' ' ' ILE . 3.6 t -112.24 157.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 92.1 m-85 -127.86 113.79 16.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.485 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.64 116.88 59.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.2 Cg_endo -75.05 177.47 8.56 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 23.0 p -81.2 -176.45 5.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.65 -49.24 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -14.79 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.42 -54.75 17.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 67.0 m-85 -64.57 -46.15 84.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -51.69 -25.09 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -70.82 -45.99 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 HG11 ' A' ' 137' ' ' VAL . 13.8 mt -44.12 138.22 3.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -75.01 174.75 12.26 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -13.17 21.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.94 -39.89 15.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.3 -16.94 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HG2' ' CD1' ' A' ' 65' ' ' LEU . 3.8 mtp180 -67.6 -77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.1 t -54.09 -21.92 9.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -46.41 85.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.3 mt -97.26 -46.74 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 25.7 mt -60.16 -28.7 68.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -87.59 -81.71 1.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.69 126.69 28.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.71 -47.56 30.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -40.77 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.21 -33.41 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.922 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -56.56 -70.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.59 -37.09 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -52.24 -48.06 65.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 25.8 mm -67.79 -51.25 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 79' ' ' ILE . 8.9 mt -52.07 -45.05 64.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -53.28 -53.94 43.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -66.7 -8.41 27.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.9 m80 -96.8 -20.34 18.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.609 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.43 145.69 11.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -113.14 162.06 12.48 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -104.44 44.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.452 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.9 pt-20 171.5 159.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.47 HG12 ' CG1' ' A' ' 42' ' ' VAL . 3.3 mm -89.74 131.98 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.64 HD11 ' CG1' ' A' ' 93' ' ' VAL . 4.4 tt -134.31 119.64 18.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -127.38 153.83 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.455 ' HA ' ' CG1' ' A' ' 89' ' ' ILE . 1.1 t -63.83 -14.45 53.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.83 47.72 3.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.575 1.172 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 157.98 45.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.591 HG22 ' N ' ' A' ' 90' ' ' GLY . 9.1 mm -83.48 -113.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.591 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 129.7 62.04 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 75.53 -71.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -148.08 150.77 34.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 84' ' ' LEU . 4.5 t -141.49 149.61 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.1 mtm-85 -114.89 107.36 15.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 96' ' ' LYS . 2.0 tt -88.49 120.6 30.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.516 ' N ' HD23 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -78.76 109.65 13.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 t -84.59 155.71 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 98' ' ' LEU . 5.1 mp -62.44 -39.42 93.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.0 -35.91 26.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.84 -46.61 1.07 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.03 130.0 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' CG ' ' HG3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -75.3 133.75 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.34 134.61 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.74 130.1 36.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -142.96 125.02 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 p -140.7 167.94 20.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.478 HD13 HG22 ' A' ' 112' ' ' VAL . 24.1 tp -121.41 112.88 19.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -136.61 136.67 39.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.0 m120 59.39 19.22 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 3.3 t30 75.01 17.3 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.21 139.53 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.478 HG22 HD13 ' A' ' 107' ' ' LEU . 71.4 t -100.01 146.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.82 154.95 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.407 HG22 ' ND2' ' A' ' 115' ' ' ASN . 4.4 p -136.59 130.72 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.528 HD22 HD22 ' A' ' 138' ' ' LEU . 36.3 m-20 52.8 24.48 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.48 41.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.562 ' OE2' HD23 ' A' ' 138' ' ' LEU . 2.5 mt-10 -133.52 146.81 62.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.09 19.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 133' ' ' VAL . 73.1 t -94.54 151.13 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.683 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -82.6 -68.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.512 ' O ' HD11 ' A' ' 124' ' ' ILE . 2.0 mt-10 -144.58 87.67 7.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.498 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.5 Cg_endo -74.97 179.5 6.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.401 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 6.6 t0 74.11 58.94 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.348 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.72 ' CD1' HG23 ' A' ' 133' ' ' VAL . 11.1 mt -116.36 93.05 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.93 130.46 39.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.403 ' HB1' ' N ' ' A' ' 11' ' ' VAL . . . -104.18 -166.57 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.86 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -87.11 -1.99 58.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -174.62 45.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 161.22 -163.62 34.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 83' ' ' ILE . 1.4 p -138.18 170.26 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.825 ' CG2' HG23 ' A' ' 11' ' ' VAL . 19.6 t -148.35 153.46 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 81.6 m-70 -141.16 101.82 4.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.72 HG23 ' CD1' ' A' ' 124' ' ' ILE . 93.9 t -59.99 127.51 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -106.08 170.89 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.455 HG22 ' HB2' ' A' ' 120' ' ' ALA . 68.9 p -118.16 36.03 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.589 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.9 OUTLIER 174.67 154.17 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.586 HG11 HD11 ' A' ' 56' ' ' LEU . 88.5 t -82.02 109.58 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 19.2 mt -60.3 161.58 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -140.07 155.75 70.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 177.63 8.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -61.72 1.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 70.17 -166.95 49.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.06 34.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.39 146.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.8 t 64.77 82.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -168.02 109.56 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 m -161.73 105.86 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.86 -165.09 10.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m 64.83 168.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 0.801 . . . . 0.0 109.967 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -96.59 78.6 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.41 169.05 5.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.164 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 mtt -164.12 122.93 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 0.751 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.604 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -136.41 112.06 0.92 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 1.021 HG22 ' OG1' ' A' ' 127' ' ' THR . 26.1 p -65.32 173.63 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.429 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.9 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -36.96 -55.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.701 ' SD ' HD13 ' A' ' 28' ' ' ILE . 14.5 mmm -54.93 -62.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 16' ' ' LYS . 33.4 t0 -47.27 -50.1 22.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 9' ' ' GLY . 2.8 t -43.86 -30.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.567 HD22 ' CB ' ' A' ' 47' ' ' ALA . 11.8 mt -81.66 -42.67 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.824 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.4 mttt -58.13 -48.27 80.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.55 -52.09 47.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.16 125.52 28.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.95 -43.02 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.71 -37.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -113.98 55.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 23' ' ' MET . 4.6 p -89.0 -62.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.45 ' N ' ' OG ' ' A' ' 22' ' ' SER . 78.8 mtp -47.55 -25.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.591 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.9 tp -68.44 -54.24 18.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.824 HG11 ' HG2' ' A' ' 16' ' ' LYS . 70.7 t -44.69 -58.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.72 -44.13 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.767 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -57.23 -48.7 78.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 25' ' ' VAL . 4.8 mt -61.83 -64.86 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.08 -52.33 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -46.99 87.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -60.54 -33.16 72.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.74 41.31 7.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.491 ' HB2' HG23 ' A' ' 28' ' ' ILE . 9.0 mt -103.96 -21.63 13.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' ASN . 5.0 m -40.48 -65.39 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.47 -59.65 0.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -45.94 -60.9 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.51 -11.96 39.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.2 OUTLIER -91.28 21.21 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -129.41 139.09 51.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.3 148.08 12.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.61 -130.53 3.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 83' ' ' ILE . 5.5 m -148.19 130.22 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.68 ' H ' HD11 ' A' ' 83' ' ' ILE . 64.3 m-85 -156.46 115.65 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 m -93.71 102.73 14.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 79' ' ' ILE . 3.4 t -107.81 151.63 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 89.6 m-85 -124.42 114.01 18.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.567 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -106.35 117.1 58.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.488 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.09 -175.52 2.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 52' ' ' ALA . 45.0 p -76.85 -169.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.342 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -82.97 -47.37 11.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.19 -15.41 62.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB1' ' HA ' ' A' ' 136' ' ' ASN . . . -57.28 -33.0 67.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -81.03 -44.27 18.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -53.93 -24.61 16.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.44 -38.5 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.537 HD11 HG21 ' A' ' 137' ' ' VAL . 87.9 mt -51.65 140.45 27.53 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.4 31.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.45 8.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.802 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.52 -40.95 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.61 -46.94 6.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -60.21 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.3 t -51.18 -63.75 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -37.38 -59.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.247 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mt -44.46 -59.63 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.31 -25.74 67.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -78.35 -92.54 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.79 136.5 58.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.64 -46.28 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -59.21 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.48 -36.63 74.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.767 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -58.0 -70.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.524 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -47.19 -34.15 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -54.44 -48.98 71.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.1 mm -66.58 -49.26 76.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 78' ' ' HIS . 12.9 mt -54.24 -50.9 66.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -45.7 -51.22 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.885 ' O ' HD11 ' A' ' 103' ' ' LEU . 88.3 t80 -64.34 -24.06 67.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 11.1 m80 -81.8 -21.69 37.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.517 HG13 HG13 ' A' ' 45' ' ' VAL . 4.2 mt -101.3 142.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.59 170.05 13.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -106.35 41.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 173.04 158.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.68 HD11 ' H ' ' A' ' 43' ' ' TYR . 16.6 mm -93.54 123.14 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 84' ' ' LEU . 9.0 tt -130.14 119.69 23.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.788 ' O ' HD11 ' A' ' 89' ' ' ILE . 18.6 m -131.15 165.86 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.8 p -73.56 63.04 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.0 68.21 0.41 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.28 50.69 0.3 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.788 HD11 ' O ' ' A' ' 85' ' ' VAL . 0.7 OUTLIER -106.87 104.18 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.98 -35.81 70.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.54 -59.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 109.241 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.442 HD11 ' HG2' ' A' ' 104' ' ' GLU . 0.7 OUTLIER -146.42 149.14 33.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.8 t -136.87 151.13 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -108.92 106.75 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -94.9 115.29 27.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.57 ' N ' HD23 ' A' ' 95' ' ' LEU . 33.5 tttt -71.79 126.01 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 p -91.81 146.59 23.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 98' ' ' LEU . 6.5 mp -56.1 -31.25 63.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -62.93 -27.3 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.71 -47.15 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.34 141.01 57.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 126.17 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.885 HD11 ' O ' ' A' ' 77' ' ' TYR . 16.8 mt -81.81 152.77 26.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.442 ' HG2' HD11 ' A' ' 92' ' ' LEU . 2.6 mt-10 -106.16 130.15 54.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -141.54 128.17 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 p -140.75 171.99 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.1 tp -128.51 106.08 8.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.25 141.84 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 33.0 t30 56.07 19.07 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 12.3 t30 75.72 14.31 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.3 t -107.13 150.15 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.9 t -111.83 135.88 49.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.24 148.23 52.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.88 105.91 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.444 HD22 ' HB3' ' A' ' 103' ' ' LEU . 3.0 m120 73.88 29.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.83 27.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -120.06 143.85 36.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 133.08 16.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 133' ' ' VAL . 79.2 t -89.51 151.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.657 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -79.42 -67.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.425 ' O ' HD11 ' A' ' 124' ' ' ILE . 3.0 mt-10 -148.46 86.71 5.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.528 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.95 175.64 10.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 3.3 t70 77.69 59.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.806 HD11 HG23 ' A' ' 133' ' ' VAL . 12.3 mt -115.53 92.22 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.6 mmm -65.43 141.6 58.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -122.84 175.01 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . 1.021 ' OG1' HG22 ' A' ' 10' ' ' THR . 34.1 p -59.59 -29.75 68.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.65 43.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 176.96 -172.57 45.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.577 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -135.13 169.75 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.9 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.2 t -149.09 147.86 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 75.5 m-70 -135.66 97.98 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.554 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.806 HG23 HD11 ' A' ' 124' ' ' ILE . 61.4 t -57.18 126.04 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.77 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.7 pt -101.74 166.95 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.8 p -83.76 -29.11 27.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.77 ' O ' HD12 ' A' ' 134' ' ' ILE . 5.6 m-80 -149.75 170.61 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 56' ' ' LEU . 41.2 t -73.05 130.9 35.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 23.2 mt -74.41 172.16 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -144.84 147.81 36.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 126.74 10.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.78 105.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -136.49 -164.87 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 161.75 38.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.75 150.72 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.6 t -68.23 -58.61 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.953 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -157.09 141.44 16.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 110.035 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 p -134.48 152.98 52.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.04 178.79 5.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m 57.44 105.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.783 . . . . 0.0 109.999 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -82.43 -60.0 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.35 -173.5 13.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.513 ' CG ' ' N ' ' A' ' 9' ' ' GLY . 1.6 ptt? -152.93 -156.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.513 ' N ' ' CG ' ' A' ' 8' ' ' MET . . . 165.64 93.78 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.765 HG22 HG22 ' A' ' 127' ' ' THR . 5.8 p -65.59 159.06 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 110.418 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.786 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.8 -56.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.483 ' HA ' HD12 ' A' ' 15' ' ' LEU . 19.2 mmm -52.89 -47.07 68.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.92 -45.66 89.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.96 -27.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 12' ' ' MET . 13.0 mt -84.11 -43.47 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.719 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.0 mttt -61.33 -42.21 98.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.62 -47.96 88.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -75.03 128.33 35.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -76.32 -36.29 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.8 -33.31 7.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -115.24 56.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 p -88.76 -66.39 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -33.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.4 tp -60.54 -60.42 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.719 HG11 ' HG2' ' A' ' 16' ' ' LYS . 83.9 t -41.0 -53.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.74 -51.74 5.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.981 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -52.58 -44.8 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.72 HG12 HD13 ' A' ' 75' ' ' LEU . 26.0 mt -68.38 -50.91 52.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -40.66 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -43.08 27.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -61.44 -32.86 72.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.69 44.37 7.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mt -108.45 -19.83 13.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' ASN . 18.4 m -47.75 -54.72 11.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -57.71 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -49.41 -53.8 20.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 13.2 mt -68.51 -12.24 60.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -93.91 24.83 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -124.41 140.75 52.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -55.67 114.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.93 -138.68 4.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.7 m -148.76 131.8 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -155.97 117.53 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 80' ' ' GLY . 7.5 m -89.61 110.83 21.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.616 HG13 HG13 ' A' ' 79' ' ' ILE . 5.2 t -113.39 157.83 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 87.9 m-85 -127.35 115.28 18.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.469 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.36 116.75 57.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.522 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.03 -174.9 2.11 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.0 p -95.08 -176.48 3.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -71.95 -42.17 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.63 -13.88 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -74.44 -62.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.522 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 57.7 m-85 -57.93 -39.78 78.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -25.8 64.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -70.21 -42.19 72.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD11 HG11 ' A' ' 137' ' ' VAL . 17.0 mt -48.0 140.23 9.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.03 173.92 13.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -6.54 18.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.7 -49.63 5.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -18.41 62.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.452 ' HG2' ' CD1' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -67.25 -73.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.3 t -55.34 -27.52 47.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -50.75 66.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.7 mt -90.2 -47.34 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 34.0 mt -60.18 -15.48 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -91.65 -93.32 1.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.19 132.14 52.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.92 -39.6 55.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -45.25 -56.91 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -40.39 95.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.981 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -52.96 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.401 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -48.1 -41.82 27.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -48.57 -50.41 32.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.443 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.7 mm -63.43 -49.25 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.72 HD13 HG12 ' A' ' 28' ' ' ILE . 12.3 mt -53.77 -45.63 70.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -51.57 -54.35 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.471 ' O ' HD11 ' A' ' 103' ' ' LEU . 71.8 t80 -64.57 -13.08 51.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -92.84 -21.4 19.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.7 mt -101.92 145.9 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -112.82 178.64 18.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -118.79 43.6 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 0.728 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 174.22 159.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.707 HG23 ' HB ' ' A' ' 130' ' ' VAL . 5.5 mm -93.03 114.46 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 tt -119.66 120.18 35.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.762 ' O ' HD11 ' A' ' 89' ' ' ILE . 28.4 m -128.54 154.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.638 ' HB2' HD22 ' A' ' 107' ' ' LEU . 22.5 p -75.22 65.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -118.38 -46.83 0.44 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.98 67.22 0.56 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.762 HD11 ' O ' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -108.56 105.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.39 -30.32 76.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.45 -71.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.433 HD21 ' OE2' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -137.16 145.63 43.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.3 t -135.67 153.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -109.21 105.78 15.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.565 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -89.2 115.33 26.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.565 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -69.94 124.13 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.6 t -97.56 178.65 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.975 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.05 -48.52 9.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -44.75 -32.22 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.92 -46.67 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.91 137.22 57.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.37 134.35 36.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.471 HD11 ' O ' ' A' ' 77' ' ' TYR . 61.9 mt -88.45 139.52 30.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.433 ' OE2' HD21 ' A' ' 92' ' ' LEU . 1.4 mt-10 -99.36 130.73 45.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 t -141.12 125.56 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 p -133.12 177.58 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.955 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 86' ' ' SER . 29.3 tp -145.19 107.96 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -134.44 144.97 48.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.423 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 92.4 m-20 56.64 19.32 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 0.7 OUTLIER 77.16 13.26 2.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 t -107.53 138.15 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.9 t -100.82 143.29 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.85 151.51 50.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.438 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 7.0 p -138.45 105.61 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 4.0 m-20 74.61 28.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 74.8 27.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.68 144.15 38.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.33 17.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 133' ' ' VAL . 68.4 t -90.88 149.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.727 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.33 -66.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.494 ' O ' HD11 ' A' ' 124' ' ' ILE . 5.3 mm-40 -146.66 88.09 6.17 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.511 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -74.99 179.79 5.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.4 t0 71.69 48.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.813 ' CD1' HG23 ' A' ' 133' ' ' VAL . 20.7 mt -101.25 93.07 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.32 127.12 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.08 -170.33 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.765 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -93.72 3.82 54.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 9.8 p-10 -173.57 51.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.96 -161.29 27.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.707 ' HB ' HG23 ' A' ' 83' ' ' ILE . 6.4 p -137.8 169.84 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.786 ' CG2' HG23 ' A' ' 11' ' ' VAL . 40.6 t -146.82 157.78 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.58 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 70.5 m-70 -145.05 99.85 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.813 HG23 ' CD1' ' A' ' 124' ' ' ILE . 94.3 t -58.31 131.78 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -109.58 170.99 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 45.0 p -118.66 30.38 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.429 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER 179.73 153.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.641 HG11 HD11 ' A' ' 56' ' ' LEU . 90.7 t -79.44 110.41 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 12.3 mt -62.87 163.85 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -142.46 154.38 63.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.443 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 140.09 25.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.52 157.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -45.54 161.52 0.13 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.23 105.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.949 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.32 131.44 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -117.65 114.34 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.9 168.68 20.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.89 81.24 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.73 169.46 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -42.46 129.48 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . 73.26 -86.6 0.59 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.539 ' O ' ' CG2' ' A' ' 127' ' ' THR . 3.3 ttp 165.22 115.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 38.07 91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.848 HG22 ' OG1' ' A' ' 127' ' ' THR . 18.9 p -66.85 166.9 12.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 110.429 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.793 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.4 OUTLIER -41.88 -52.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 28' ' ' ILE . 7.7 mmm -63.86 -57.35 10.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' LYS . 45.6 m-20 -47.6 -47.17 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -43.54 -36.67 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -74.41 -41.75 60.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.6 mttt -61.45 -44.15 97.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.22 -60.43 7.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -69.32 128.32 36.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.243 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' ARG . 5.5 m120 -72.82 -38.69 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' ASN . 5.8 mtp180 -38.09 -41.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.7 m-85 -111.42 48.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 p -85.12 -31.13 23.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -36.89 63.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.1 tp -59.45 -51.87 68.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.559 HG11 ' HG2' ' A' ' 16' ' ' LYS . 79.5 t -45.35 -52.5 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.67 -44.42 6.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.053 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -62.69 -44.68 95.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.501 HG21 ' SD ' ' A' ' 12' ' ' MET . 48.4 mt -65.1 -47.8 86.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.18 -47.33 81.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -43.93 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.81 -29.57 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.03 37.82 17.51 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mt -100.9 -25.86 13.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.805 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.424 ' OG1' HG22 ' A' ' 28' ' ' ILE . 2.5 m -46.92 -41.13 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.12 -53.93 52.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -53.28 -44.68 68.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.443 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 8.6 mt -77.73 -6.04 52.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -81.6 -33.78 31.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -80.85 138.8 36.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -47.13 162.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.521 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 139.54 -134.97 6.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 41' ' ' GLY . 2.8 m -155.01 130.67 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 0.725 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -156.7 116.14 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 m -87.44 113.72 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.453 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 79' ' ' ILE . 3.5 t -116.9 156.52 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 97.6 m-85 -129.29 115.11 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.48 116.92 58.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.519 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -74.95 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.497 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.0 p -81.29 176.7 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.77 -41.8 74.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.56 -13.35 60.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -70.31 -57.18 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 63.8 m-85 -63.1 -32.63 74.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -64.45 -27.87 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.09 -39.66 75.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD11 HG11 ' A' ' 137' ' ' VAL . 12.3 mt -48.49 139.72 10.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.97 167.53 26.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -1.84 11.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.31 -39.51 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 6.4 tt0 -93.1 -12.01 31.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -75.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 2.0 t -54.34 -20.01 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.061 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -55.35 35.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.2 mt -84.01 -45.63 12.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.47 -17.28 53.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -99.32 -81.14 1.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.73 136.79 58.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.3 -48.34 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -69.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -50.28 -33.37 19.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.053 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -58.45 -70.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.2 -37.46 54.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' OD1' ' NE2' ' A' ' 99' ' ' GLN . 4.8 t-20 -50.56 -46.76 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.93 -53.82 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 6.6 mt -49.05 -48.72 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -51.35 -45.45 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.645 ' O ' HD11 ' A' ' 103' ' ' LEU . 74.7 t80 -69.81 -18.91 63.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 14.1 m80 -89.18 -20.13 24.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.452 HG12 HG22 ' A' ' 45' ' ' VAL . 7.5 mt -101.77 144.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.93 174.53 15.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -110.41 39.1 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 172.42 164.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 83' ' ' ILE . 3.7 mm -89.69 138.49 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.407 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 4.0 tt -145.19 119.87 9.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.792 ' O ' HD11 ' A' ' 89' ' ' ILE . 22.0 m -137.88 -179.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.62 ' HB2' HD22 ' A' ' 107' ' ' LEU . 78.5 p -82.7 65.75 7.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.01 -79.54 0.22 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.24 51.07 0.96 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.792 HD11 ' O ' ' A' ' 85' ' ' VAL . 31.9 mm -67.28 -111.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.609 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 124.73 65.26 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 73.23 -71.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -148.25 150.56 33.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.422 ' N ' ' HG ' ' A' ' 92' ' ' LEU . 21.0 t -139.2 155.84 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -114.53 111.27 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -97.3 123.0 40.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.673 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -72.8 132.86 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.8 t -103.69 149.46 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.02 -31.31 69.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.448 ' NE2' ' OD1' ' A' ' 73' ' ' ASN . 1.5 tt0 -65.1 -28.25 69.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 124.82 -45.86 1.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 97' ' ' SER . 2.4 m-20 -66.65 136.89 56.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 132.84 34.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.645 HD11 ' O ' ' A' ' 77' ' ' TYR . 22.0 mt -89.04 142.77 27.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -97.18 130.18 44.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.44 124.81 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 p -136.01 170.84 15.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.62 HD22 ' HB2' ' A' ' 86' ' ' SER . 46.0 tp -129.31 110.59 12.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -137.3 139.42 40.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 57.2 19.13 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 74.91 20.44 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 t -112.09 141.5 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.25 136.93 35.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.61 148.08 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.575 HG13 HD21 ' A' ' 138' ' ' LEU . 7.1 p -132.14 106.31 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.464 HD22 HD22 ' A' ' 103' ' ' LEU . 4.1 m120 73.71 31.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.77 28.91 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -121.61 143.4 37.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.66 18.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.76 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 133' ' ' VAL . 71.5 t -90.09 153.26 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.612 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -80.41 -71.63 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -142.95 86.58 9.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 132' ' ' HIS . 18.2 Cg_endo -74.99 177.82 8.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.771 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.457 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 4.8 t70 77.02 57.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.778 HD11 HG23 ' A' ' 133' ' ' VAL . 12.8 mt -112.68 92.14 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.09 133.52 49.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.454 ' HB1' ' N ' ' A' ' 11' ' ' VAL . . . -115.94 -170.35 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.848 ' OG1' HG22 ' A' ' 10' ' ' THR . 71.4 p -79.88 -28.03 39.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.07 54.08 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.35 -163.97 32.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 131' ' ' VAL . 2.0 p -142.87 169.86 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.793 ' CG2' HG23 ' A' ' 11' ' ' VAL . 26.2 t -144.83 152.58 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.711 ' CE1' HG12 ' A' ' 85' ' ' VAL . 90.8 m-70 -139.44 98.26 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.584 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.778 HG23 HD11 ' A' ' 124' ' ' ILE . 58.4 t -57.32 129.52 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.0 OUTLIER -106.1 171.32 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 120' ' ' ALA . 2.0 p -113.25 5.0 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.529 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -151.71 164.45 36.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.42 HG11 HD11 ' A' ' 56' ' ' LEU . 77.4 t -92.21 100.53 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.575 HD21 HG13 ' A' ' 114' ' ' VAL . 31.6 mt -48.66 160.49 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -141.07 152.82 66.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 166.13 29.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -70.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -175.33 -175.86 43.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 68.84 5.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.8 t -119.49 84.59 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.2 145.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 p -75.28 151.23 38.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.39 -59.28 3.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.03 64.72 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.27 161.62 34.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.014 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.51 -57.01 2.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.65 16.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.64 131.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -136.98 112.86 0.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.909 HG22 ' OG1' ' A' ' 127' ' ' THR . 4.9 p -59.48 157.78 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 110.397 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.669 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.1 -56.15 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.711 ' SD ' HD13 ' A' ' 28' ' ' ILE . 19.5 mmm -61.79 -53.55 54.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.414 ' HB2' ' N ' ' A' ' 10' ' ' THR . 17.1 m-20 -49.31 -44.43 44.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.405 1.066 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 9' ' ' GLY . 3.0 t -51.22 -36.98 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 47' ' ' ALA . 12.0 mt -74.23 -38.63 63.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.86 ' HG2' HG11 ' A' ' 25' ' ' VAL . 16.3 mttt -63.68 -40.72 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.56 -52.69 51.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.23 132.15 45.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -79.81 -34.23 39.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.96 -38.52 51.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.541 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.6 m-85 -107.5 43.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.4 p -77.79 -60.29 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -39.08 11.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.699 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.8 tp -57.69 -54.76 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.86 HG11 ' HG2' ' A' ' 16' ' ' LYS . 71.3 t -44.81 -58.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.17 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.762 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -64.44 -51.01 65.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 25' ' ' VAL . 4.0 mt -58.63 -49.97 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -47.85 72.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -47.59 79.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.14 73.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.34 35.62 8.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.3 -19.77 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.55 ' N ' HG22 ' A' ' 28' ' ' ILE . 1.1 m -51.94 -26.25 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.86 -53.99 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -55.09 -31.56 61.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.48 -0.3 57.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -91.04 -26.0 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -86.48 142.76 28.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -56.22 159.81 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.74 -131.58 4.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 83' ' ' ILE . 2.9 m -150.76 130.1 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.513 ' H ' HD11 ' A' ' 83' ' ' ILE . 61.8 m-85 -156.86 116.39 3.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -93.54 102.26 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.466 HG13 HG13 ' A' ' 79' ' ' ILE . 3.0 t -104.55 156.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 84.8 m-85 -130.32 113.45 14.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.489 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -105.0 116.8 60.1 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.01 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.544 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.2 p -97.52 176.57 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -44.1 83.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -17.98 63.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -67.24 -61.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.562 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 66.3 m-85 -59.33 -33.53 71.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -63.41 -26.72 68.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.38 -43.93 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.679 HD11 HG11 ' A' ' 137' ' ' VAL . 12.2 mt -43.84 143.5 1.69 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.05 163.2 35.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 0.32 9.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.02 -33.2 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' OE2' HD22 ' A' ' 56' ' ' LEU . 3.7 tt0 -95.83 -16.7 21.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -74.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' GLY . 5.2 t -52.03 -21.57 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -63.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.7 mt -71.19 -47.9 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.08 -16.54 45.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -98.62 -84.61 1.79 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.16 129.35 39.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.87 -47.25 26.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -55.48 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.01 -46.0 91.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.356 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.762 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -49.62 -65.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -50.97 -49.42 60.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' ALA . 1.5 t-20 -40.09 -46.37 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.431 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 25.5 mm -69.76 -58.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.756 ' O ' HD12 ' A' ' 79' ' ' ILE . 9.6 mt -44.46 -48.05 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -52.17 -53.09 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.573 ' O ' HD11 ' A' ' 103' ' ' LEU . 74.5 t80 -64.38 -11.43 32.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 7.0 m80 -93.75 -23.01 18.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 75' ' ' LEU . 2.6 mt -101.6 144.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.39 165.98 12.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -100.24 36.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.4 pt-20 177.13 158.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.515 HG12 HG12 ' A' ' 42' ' ' VAL . 13.1 mm -90.34 132.42 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 5.1 tt -132.9 119.37 20.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 m -127.87 145.18 35.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.766 ' HB2' HD22 ' A' ' 107' ' ' LEU . 89.6 p -73.7 66.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -135.52 48.57 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.714 ' O ' ' C ' ' A' ' 89' ' ' ILE . . . 158.47 -54.17 0.38 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.714 ' C ' ' O ' ' A' ' 88' ' ' GLY . 3.0 mm 1.46 101.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.36 -49.2 78.53 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -159.77 -56.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.967 HD13 ' N ' ' A' ' 93' ' ' VAL . 2.8 tm? -139.85 155.43 47.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.967 ' N ' HD13 ' A' ' 92' ' ' LEU . 18.1 t -150.5 153.57 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -120.18 110.11 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -92.94 117.53 30.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.594 ' N ' HD23 ' A' ' 95' ' ' LEU . 8.5 ttpt -73.05 123.1 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -94.05 177.65 5.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.47 -44.96 13.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -51.08 -29.89 14.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.43 -45.93 1.12 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.5 133.39 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 135.36 33.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.573 HD11 ' O ' ' A' ' 77' ' ' TYR . 17.0 mt -90.16 146.75 24.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -103.18 130.01 50.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.8 123.65 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.659 ' HA ' HG21 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -134.14 176.77 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.024 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.766 HD22 ' HB2' ' A' ' 86' ' ' SER . 15.5 tp -131.44 107.77 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -136.79 144.37 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.4 t30 55.71 19.22 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.2 16.28 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 107' ' ' LEU . 8.8 t -108.53 158.83 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.404 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 59.8 t -120.22 144.3 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.4 151.17 43.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.2 p -138.83 103.52 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 2.8 m-20 76.37 33.26 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 2.0 mtmt 69.06 29.88 4.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 118' ' ' PRO . 1.2 mt-10 -122.76 142.27 37.34 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -74.99 135.61 19.33 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 133' ' ' VAL . 73.0 t -90.53 146.83 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.808 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -76.27 -64.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.48 ' O ' HD11 ' A' ' 124' ' ' ILE . 0.8 OUTLIER -150.34 88.37 4.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.483 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.2 Cg_endo -75.02 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 3.2 t0 76.64 60.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.676 HD12 HG12 ' A' ' 131' ' ' VAL . 10.8 mt -116.22 92.74 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.28 137.63 54.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.83 -166.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.909 ' OG1' HG22 ' A' ' 10' ' ' THR . 74.6 p -81.32 -23.39 37.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.61 43.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.17 -168.36 41.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.486 HG12 HD12 ' A' ' 83' ' ' ILE . 1.3 p -137.37 170.52 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 124' ' ' ILE . 23.7 t -147.22 150.17 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.591 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 83.9 m-70 -138.71 97.13 3.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.808 HG12 ' HB3' ' A' ' 120' ' ' ALA . 76.4 t -55.45 134.44 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -111.3 171.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 73.3 p -120.11 32.54 5.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 176.36 144.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.679 HG11 HD11 ' A' ' 56' ' ' LEU . 82.4 t -71.47 116.82 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 26.7 mt -68.51 155.17 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -135.95 151.53 74.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.431 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 154.28 42.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.49 93.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.98 -177.03 14.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -48.08 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.21 160.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.04 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.66 147.69 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -70.06 -60.21 2.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 0.763 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.19 123.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.68 -167.15 30.86 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -138.92 102.37 4.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -176.89 115.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.88 -118.83 0.83 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ptp -179.91 134.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.504 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -139.81 108.27 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.963 HG22 ' OG1' ' A' ' 127' ' ' THR . 5.2 p -58.56 156.3 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 110.373 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.712 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.37 -60.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.649 ' SD ' HG21 ' A' ' 28' ' ' ILE . 11.9 mmm -53.39 -43.53 67.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -62.27 -48.43 79.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 9' ' ' GLY . 12.8 t -45.94 -27.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 47' ' ' ALA . 7.1 mt -86.17 -41.94 14.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.764 ' HG2' HG11 ' A' ' 25' ' ' VAL . 13.3 mttt -63.56 -49.43 73.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.0 -56.24 12.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -71.79 131.75 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -75.06 -37.38 61.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -42.02 -40.42 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.0 m-85 -109.71 50.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 p -80.94 -56.13 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.68 -47.47 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.576 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.4 tp -47.98 -53.38 16.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.764 HG11 ' HG2' ' A' ' 16' ' ' LYS . 76.1 t -46.59 -55.78 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.19 -41.29 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.86 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -61.94 -49.41 76.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.649 HG21 ' SD ' ' A' ' 12' ' ' MET . 7.1 mt -64.86 -42.72 95.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -43.56 94.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -45.08 64.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -59.97 -33.0 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.12 39.45 9.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mt -101.47 -21.31 14.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' ASN . 8.6 m -44.44 -57.54 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -41.84 -61.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -46.69 -58.46 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 21.3 mt -63.97 -12.52 38.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.4 m-20 -91.36 17.78 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -127.64 141.69 51.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.65 152.87 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.701 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 143.78 -127.58 3.07 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.701 HG13 ' O ' ' A' ' 41' ' ' GLY . 1.3 m -160.71 130.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -156.49 116.92 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 m -91.02 106.13 18.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 79' ' ' ILE . 3.2 t -109.14 157.7 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 96.6 m-85 -130.16 113.04 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.643 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -104.98 117.2 59.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.54 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -75.0 -171.33 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.4 p -91.83 -173.14 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -76.71 -44.34 33.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -20.26 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.247 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -60.79 -52.8 63.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.54 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 55.9 m-85 -67.28 -29.19 68.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -65.48 -27.7 68.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.98 75.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 HG11 ' A' ' 137' ' ' VAL . 10.7 mt -47.72 140.1 8.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.5 Cg_endo -74.96 166.76 28.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.07 9.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.77 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -93.93 -42.63 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.66 -15.91 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -64.19 -76.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' GLY . 8.5 t -49.28 -23.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.51 -65.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 71' ' ' LEU . 63.5 mt -71.09 -46.99 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.35 -15.21 33.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -100.48 -91.15 2.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.3 133.61 56.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.238 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.48 -44.86 27.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -41.44 -68.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.95 -29.44 42.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.86 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -63.83 -70.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.422 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -48.55 -39.11 22.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -47.46 -54.86 10.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 74' ' ' ILE . 33.4 mm -61.01 -53.69 45.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.723 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.8 mt -48.7 -45.44 39.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -52.56 -54.53 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.671 ' O ' HD11 ' A' ' 103' ' ' LEU . 49.4 t80 -64.86 -11.97 43.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -92.35 -22.02 19.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.5 mt -101.37 149.96 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.43 -175.19 19.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -117.41 9.64 13.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 0.727 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' HG2' HD21 ' A' ' 95' ' ' LEU . 3.5 pt-20 -158.46 161.09 37.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.532 HG23 ' HB ' ' A' ' 130' ' ' VAL . 15.3 mm -91.9 119.62 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.743 ' C ' HD23 ' A' ' 84' ' ' LEU . 2.7 tt -122.18 120.14 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' N ' HD23 ' A' ' 84' ' ' LEU . 33.0 m -134.37 152.78 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.589 ' OG ' HD22 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -72.74 69.43 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -131.33 46.24 1.08 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.81 53.86 0.26 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.581 HG23 ' CG2' ' A' ' 93' ' ' VAL . 22.9 mm -76.69 -117.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.553 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 165.86 -43.65 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -175.0 -80.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.491 HD11 ' HG2' ' A' ' 104' ' ' GLU . 3.8 tp -125.15 132.52 53.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.581 ' CG2' HG23 ' A' ' 89' ' ' ILE . 96.7 t -122.29 131.55 72.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -97.73 111.27 23.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -97.39 116.71 30.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.529 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.12 115.51 9.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 98' ' ' LEU . 4.8 t -90.38 176.77 6.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.438 ' N ' ' OG ' ' A' ' 97' ' ' SER . 5.2 mt -86.53 -47.7 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.415 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 0.3 OUTLIER -38.8 -32.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.1 -43.87 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.62 130.68 41.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.41 128.08 35.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.671 HD11 ' O ' ' A' ' 77' ' ' TYR . 14.2 mt -77.25 160.73 28.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.491 ' HG2' HD11 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -121.83 130.31 53.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -144.82 125.05 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.87 165.45 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 111' ' ' VAL . 35.1 tp -123.48 114.07 19.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -136.32 148.39 47.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.6 m-20 56.59 18.84 3.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.358 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 45.2 t30 76.19 7.61 3.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.883 ' O ' HD12 ' A' ' 107' ' ' LEU . 6.6 t -106.26 150.78 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.434 HG22 HD13 ' A' ' 107' ' ' LEU . 90.0 t -95.04 135.07 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.37 149.99 51.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' A' ' 117' ' ' GLU . 6.6 p -135.1 128.05 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.474 HD22 HD22 ' A' ' 138' ' ' LEU . 6.3 m-20 49.25 22.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 115' ' ' ASN . 1.6 mtmt 81.94 46.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.507 ' HB3' ' O ' ' A' ' 114' ' ' VAL . 1.5 tt0 -137.81 137.98 22.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.447 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 18.1 Cg_endo -75.08 131.21 13.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 133' ' ' VAL . 99.3 t -87.23 149.12 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.788 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.13 -61.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.551 ' O ' HD11 ' A' ' 124' ' ' ILE . 27.5 mt-10 -147.61 88.33 5.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.0 3.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 62.11 64.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.727 HD12 HG12 ' A' ' 131' ' ' VAL . 18.1 mt -112.48 92.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.47 132.44 53.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -116.98 -166.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.963 ' OG1' HG22 ' A' ' 10' ' ' THR . 60.2 p -83.44 -32.17 26.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.48 45.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.58 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 170.08 -168.76 41.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.42 1.075 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.532 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -134.79 170.12 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.727 HG12 HD12 ' A' ' 124' ' ' ILE . 24.4 t -147.62 147.28 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 75.8 m-70 -136.93 96.7 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.788 HG12 ' HB3' ' A' ' 120' ' ' ALA . 95.9 t -56.88 127.81 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.1 pt -105.07 170.91 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 120' ' ' ALA . 76.1 p -119.76 32.35 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.423 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.421 ' N ' ' OE2' ' A' ' 117' ' ' GLU . 0.3 OUTLIER 175.9 148.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.586 HG11 HD11 ' A' ' 56' ' ' LEU . 79.3 t -73.13 118.61 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 12.0 mt -70.71 158.15 36.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -139.43 152.1 68.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.4 14.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.21 160.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.957 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -69.48 152.35 51.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -62.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.53 84.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.987 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.9 t -161.02 85.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -137.29 83.84 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -142.95 151.41 40.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.98 -172.61 48.88 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -81.18 94.14 6.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.95 144.56 11.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.958 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.36 -99.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -175.04 -163.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.08 94.91 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.673 HG22 HG22 ' A' ' 127' ' ' THR . 10.6 p -66.45 152.46 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.762 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.92 -55.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.84 ' SD ' HD13 ' A' ' 28' ' ' ILE . 20.8 mmm -61.96 -44.8 95.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 10' ' ' THR . 4.5 m-20 -58.48 -39.44 79.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -56.13 -28.85 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.672 HD22 ' CB ' ' A' ' 47' ' ' ALA . 7.4 mt -85.35 -40.23 16.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.771 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.8 mttt -61.15 -44.92 96.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.04 -52.62 52.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.33 123.53 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -68.63 -44.34 74.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.74 -42.27 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.1 m-85 -105.37 51.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.6 p -87.54 -66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -27.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD22 ' HD2' ' A' ' 48' ' ' PRO . 9.0 tp -68.35 -57.09 6.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.771 HG11 ' HG2' ' A' ' 16' ' ' LYS . 98.2 t -40.09 -55.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.34 -56.1 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.962 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -47.0 -47.17 22.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.84 HD13 ' SD ' ' A' ' 12' ' ' MET . 45.0 mt -66.06 -59.27 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -45.02 -39.0 5.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -44.72 21.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -59.8 -29.9 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.0 43.37 9.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -107.06 -21.61 12.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' ASN . 6.3 m -45.77 -55.98 5.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -43.29 -60.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -47.64 -55.86 8.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.67 -12.82 56.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -93.2 21.03 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -119.44 142.59 48.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.88 116.74 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.351 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.79 -135.24 3.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.15 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.8 m -147.63 131.71 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -156.01 116.98 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.9 m -91.42 105.7 17.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.665 HG13 HG13 ' A' ' 79' ' ' ILE . 4.0 t -108.69 157.52 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 87.0 m-85 -127.04 114.04 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.672 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -107.58 116.92 56.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.4 Cg_endo -74.99 -178.58 4.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 52' ' ' ALA . 2.8 p -78.03 -171.82 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -77.43 -56.21 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.95 -20.85 59.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -52.51 -38.94 60.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -78.81 -47.26 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -49.14 -26.79 3.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.16 -46.01 65.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD11 HG21 ' A' ' 137' ' ' VAL . 86.8 mt -45.71 141.3 4.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.02 165.2 31.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.56 8.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -94.76 -40.09 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.481 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.5 tp10 -95.51 -46.01 6.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -59.41 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -53.16 -53.93 43.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -43.38 -52.78 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.0 -60.68 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.71 -17.23 54.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -82.22 -94.48 0.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -60.73 130.1 44.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.91 -42.88 23.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -52.7 41.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.01 -37.75 88.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.962 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -56.11 -68.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.557 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -47.28 -37.24 10.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.69 -50.2 60.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.434 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 21.9 mm -64.67 -50.92 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 79' ' ' ILE . 20.3 mt -52.46 -42.91 64.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -52.26 -54.63 28.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.412 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 63.5 t80 -64.9 -9.42 20.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 7.0 m80 -96.24 -18.58 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.4 mt -101.82 145.72 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' C ' ' CD1' ' A' ' 98' ' ' LEU . . . -113.02 166.81 12.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.483 ' CG ' ' CD1' ' A' ' 98' ' ' LEU . 7.3 m-20 -108.13 37.31 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.451 ' HG2' HD21 ' A' ' 95' ' ' LEU . 3.3 pt-20 177.64 161.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.528 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.0 mm -90.53 130.15 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.502 HD11 ' CG1' ' A' ' 93' ' ' VAL . 6.6 tt -134.13 119.82 19.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.457 HG12 HG21 ' A' ' 130' ' ' VAL . 29.0 m -128.43 156.7 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 p -58.65 -23.32 58.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.7 81.34 1.34 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.35 42.61 0.25 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 90' ' ' GLY . 6.8 mm -85.25 -102.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . 124.43 54.96 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 76.72 -62.1 0.42 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.957 HD13 ' N ' ' A' ' 93' ' ' VAL . 2.8 tm? -144.15 155.28 43.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.957 ' N ' HD13 ' A' ' 92' ' ' LEU . 50.8 t -156.3 116.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -90.42 112.08 23.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -95.1 117.46 30.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.559 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.9 OUTLIER -71.76 126.24 29.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 p -93.78 139.85 30.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.483 ' CD1' ' CG ' ' A' ' 81' ' ' ASP . 7.1 mp -52.39 -25.2 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -67.84 -18.82 64.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.81 -44.3 1.46 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -69.08 149.24 48.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.13 115.61 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 95' ' ' LEU . 3.5 mt -75.83 143.16 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.94 130.73 42.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.0 t -141.71 129.03 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.38 178.55 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 25.6 tp -129.21 110.25 11.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -137.39 140.28 41.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 m120 56.05 19.34 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 72.19 20.95 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.0 t -117.36 139.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.5 t -99.5 148.02 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.15 150.29 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -136.12 104.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.48 HD22 HD22 ' A' ' 138' ' ' LEU . 3.4 m-20 76.65 31.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.06 25.35 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.547 ' OE1' HD23 ' A' ' 138' ' ' LEU . 1.9 mt-10 -117.31 142.52 30.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.14 16.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 133' ' ' VAL . 66.9 t -91.04 158.95 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.512 ' HB2' ' CG2' ' A' ' 135' ' ' THR . . . -89.92 -77.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.547 ' O ' HD11 ' A' ' 124' ' ' ILE . 29.7 mt-10 -130.7 87.21 50.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.13 7.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 69.18 59.07 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.733 ' CD1' HG23 ' A' ' 133' ' ' VAL . 12.8 mt -110.93 92.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.91 120.76 15.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.29 -167.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.673 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -94.17 -0.76 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 128' ' ' ASN . 0.5 OUTLIER -170.92 37.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 162.77 -158.5 30.74 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.528 ' HB ' HG23 ' A' ' 83' ' ' ILE . 2.2 p -136.64 170.46 18.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.762 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.3 t -147.13 151.92 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 77.7 m-70 -138.81 98.28 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.733 HG23 ' CD1' ' A' ' 124' ' ' ILE . 97.2 t -60.73 120.68 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.3 pt -99.0 170.55 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.512 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 38.0 p -117.12 28.18 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.576 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -179.78 144.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.564 HG21 HD11 ' A' ' 56' ' ' LEU . 75.8 t -72.44 115.74 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 17.1 mt -65.66 164.59 14.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -138.39 153.54 72.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 167.31 27.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.9 p -84.21 -55.48 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 39.58 -160.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 177.35 8.68 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.21 105.17 11.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.1 p -101.62 141.14 34.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.95 HG22 ' OG1' ' A' ' 127' ' ' THR . 5.8 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.723 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.06 -57.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.646 ' SD ' HD13 ' A' ' 28' ' ' ILE . 25.9 mmm -59.94 -55.55 32.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.32 -46.79 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 t -48.44 -33.36 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.668 HD22 ' CB ' ' A' ' 47' ' ' ALA . 11.3 mt -81.08 -42.28 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.826 ' HG2' HG11 ' A' ' 25' ' ' VAL . 11.5 mtpt -59.67 -41.27 90.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.56 -50.65 62.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.487 ' HB3' ' CD2' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -70.55 124.79 25.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 0.787 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -39.85 77.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -34.6 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.1 m-85 -110.76 48.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.8 p -86.95 -63.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -24.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.593 HD22 ' HD2' ' A' ' 48' ' ' PRO . 8.6 tp -69.93 -53.37 18.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.826 HG11 ' HG2' ' A' ' 16' ' ' LYS . 86.7 t -45.58 -55.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.57 -41.33 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.609 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -61.77 -43.32 99.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 25' ' ' VAL . 11.1 mt -64.95 -55.62 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -48.16 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -46.32 89.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.48 ' CB ' HD12 ' A' ' 75' ' ' LEU . . . -62.08 -32.98 73.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.45 44.24 5.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 28' ' ' ILE . 4.6 mt -109.72 -22.01 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' ASN . 4.4 m -44.42 -54.33 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -53.04 -55.37 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -48.36 -49.1 35.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 10.2 mt -75.16 -16.64 60.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' THR . 6.9 t-20 -72.93 -37.98 66.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -75.93 138.91 41.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -45.78 168.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.522 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 133.39 -137.22 9.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -155.09 130.88 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -156.03 116.42 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 m -86.72 109.47 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.359 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.602 HG13 HG13 ' A' ' 79' ' ' ILE . 5.8 t -114.76 154.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 94.2 m-85 -125.07 115.21 20.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.668 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -107.26 117.11 56.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.593 ' HD2' HD22 ' A' ' 24' ' ' LEU . 18.1 Cg_endo -75.0 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 52' ' ' ALA . 38.4 p -73.93 -166.48 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -86.1 -46.18 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -14.74 61.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB2' ' OG1' ' A' ' 49' ' ' THR . . . -57.26 -32.94 67.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -80.35 -49.42 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -49.81 -22.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.9 -39.11 61.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.626 HD11 HG21 ' A' ' 137' ' ' VAL . 88.1 mt -52.05 139.51 33.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 18.4 Cg_endo -75.05 166.01 30.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.06 9.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.452 1.764 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -91.77 -41.06 10.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.5 tp10 -95.62 -47.01 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 57' ' ' PRO . 28.3 ttp85 -51.37 -64.81 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.8 t -45.31 -62.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' SER . 0.7 OUTLIER -37.79 -54.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.436 HD11 ' OE2' ' A' ' 60' ' ' GLU . 4.5 mt -50.73 -60.09 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.91 -18.33 55.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.79 -94.53 1.05 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.79 129.32 40.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.92 -44.67 19.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -56.15 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.44 -31.86 73.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.609 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -62.51 -70.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.69 -35.57 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -52.16 -53.84 38.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.421 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 23.9 mm -60.7 -48.36 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.649 ' O ' HD12 ' A' ' 79' ' ' ILE . 10.3 mt -55.36 -45.96 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -52.93 -46.72 68.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.866 ' O ' HD21 ' A' ' 103' ' ' LEU . 91.8 t80 -71.32 -15.89 62.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.8 m80 -89.89 -20.95 22.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.571 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 75' ' ' LEU . 4.0 mt -101.25 147.97 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.69 179.37 19.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -115.69 20.79 14.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' HD21 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -167.81 161.66 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.744 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.7 mm -92.27 110.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.682 HD23 ' N ' ' A' ' 85' ' ' VAL . 1.6 tt -116.6 119.81 36.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.685 HG12 ' HE1' ' A' ' 132' ' ' HIS . 31.5 m -137.34 158.61 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.564 ' HB2' HD22 ' A' ' 107' ' ' LEU . 87.2 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.486 ' CG1' HD11 ' A' ' 84' ' ' LEU . 72.9 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -109.59 111.15 22.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 96' ' ' LYS . 3.5 tt -93.49 118.97 32.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.49 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -71.3 111.22 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -179.23 7.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 mt -93.59 -46.32 7.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -30.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.04 -39.86 1.83 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.37 129.13 34.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 135.9 44.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.866 HD21 ' O ' ' A' ' 77' ' ' TYR . 30.0 mt -86.03 129.75 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.592 1.182 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -91.46 130.17 37.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 t -142.54 130.58 20.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 p -139.22 169.41 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.696 HD13 HG22 ' A' ' 112' ' ' VAL . 21.3 tp -128.43 112.49 14.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -137.31 140.22 41.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 5.1 m-20 57.63 18.14 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 25.4 t-20 76.75 13.61 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.1 t -107.68 139.53 29.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.696 HG22 HD13 ' A' ' 107' ' ' LEU . 66.2 t -98.28 141.14 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.41 148.05 45.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.629 HG13 HD21 ' A' ' 138' ' ' LEU . 2.7 p -132.75 103.97 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 3.7 m-20 75.2 27.99 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 76.72 26.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.46 142.43 30.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.18 17.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 133' ' ' VAL . 52.9 t -90.69 150.34 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.65 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -80.12 -68.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -145.46 87.86 6.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.53 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -75.0 177.56 8.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.807 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t70 72.9 62.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.731 HD11 HG23 ' A' ' 133' ' ' VAL . 15.5 mt -113.47 93.11 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.6 mmt -64.96 130.01 41.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -113.36 -166.7 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.95 ' OG1' HG22 ' A' ' 10' ' ' THR . 45.2 p -82.1 -33.84 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.99 46.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 168.08 -169.87 41.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.744 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -134.14 170.03 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.723 ' CG2' HG23 ' A' ' 11' ' ' VAL . 25.5 t -147.88 149.3 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.685 ' HE1' HG12 ' A' ' 85' ' ' VAL . 65.3 m-70 -137.86 101.84 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.731 HG23 HD11 ' A' ' 124' ' ' ILE . 64.3 t -60.96 130.34 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.0 OUTLIER -106.87 165.95 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 20.0 p -96.51 -5.72 38.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.526 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.9 OUTLIER -162.47 152.14 15.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.626 HG21 HD11 ' A' ' 56' ' ' LEU . 3.6 t -67.06 128.81 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.629 HD21 HG13 ' A' ' 114' ' ' VAL . 21.8 mt -69.15 167.65 15.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -144.55 138.01 14.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.421 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.565 1.824 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.894 HG22 ' OG1' ' A' ' 127' ' ' THR . 3.0 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.74 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -36.93 -59.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.759 ' SD ' HD13 ' A' ' 28' ' ' ILE . 13.2 mmm -57.23 -46.52 82.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.416 ' HB2' ' N ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.09 -49.26 74.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.44 -32.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 47' ' ' ALA . 9.2 mt -78.75 -42.26 28.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.73 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.9 mttt -62.6 -47.25 84.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.22 -37.54 87.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.75 129.49 34.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -75.92 -43.91 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.89 -38.36 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.431 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.2 m-85 -108.28 54.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -89.47 -67.28 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.47 -30.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.7 tp -64.5 -54.59 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.73 HG11 ' HG2' ' A' ' 16' ' ' LYS . 70.2 t -45.91 -54.26 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.8 -44.07 6.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 1.057 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.63 -44.6 93.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.759 HD13 ' SD ' ' A' ' 12' ' ' MET . 63.0 mt -63.06 -58.66 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.96 -52.53 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -39.15 93.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.63 72.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.84 42.21 8.35 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 mt -109.07 -22.29 12.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.1 m -46.93 -53.03 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.37 -56.65 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -52.17 -48.31 65.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.8 mt -75.39 -4.4 39.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.3 t-20 -86.78 -24.86 24.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.79 157.03 20.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -66.03 159.12 26.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.661 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 143.31 -130.22 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 41' ' ' GLY . 3.4 m -158.87 130.24 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -156.56 116.31 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.5 m -87.56 105.24 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.418 HG13 HG13 ' A' ' 79' ' ' ILE . 3.0 t -107.2 156.16 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 91.7 m-85 -130.0 113.38 14.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.147 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -105.45 116.89 59.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.4 Cg_endo -74.94 173.12 15.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 5.4 p -75.21 -179.44 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.444 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.23 -45.37 56.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -15.35 58.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -66.63 -54.54 22.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.484 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 46.1 m-85 -65.43 -29.44 70.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -67.07 -27.94 67.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.239 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.59 69.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.597 HD22 ' CD ' ' A' ' 60' ' ' GLU . 12.0 mt -43.18 138.84 2.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.5 Cg_endo -75.0 166.96 28.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.76 18.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.09 -33.07 15.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.597 ' CD ' HD22 ' A' ' 56' ' ' LEU . 7.3 tt0 -96.01 -17.14 21.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -67.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 66' ' ' GLY . 36.7 t -58.74 -23.87 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -58.98 -50.38 74.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.405 HD11 HG13 ' A' ' 74' ' ' ILE . 34.3 mt -88.1 -45.17 10.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.74 -16.69 61.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -106.85 -75.88 0.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.98 128.42 36.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -82.66 -50.31 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -40.82 -58.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -36.0 78.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.057 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -52.15 -69.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -50.46 -48.66 56.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ALA . 11.0 t30 -39.69 -46.75 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.464 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 32.0 mm -70.05 -59.17 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.502 HD13 HG12 ' A' ' 28' ' ' ILE . 7.8 mt -44.05 -54.67 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HE3' ' HB1' ' A' ' 72' ' ' ALA . 16.3 mttt -46.14 -54.49 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.81 ' O ' HD11 ' A' ' 103' ' ' LEU . 77.0 t80 -61.35 -21.78 64.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 9.8 m80 -84.53 -19.38 33.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.617 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.418 HG13 HG13 ' A' ' 45' ' ' VAL . 5.2 mt -101.33 144.97 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.42 163.39 12.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -101.46 40.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 171.54 160.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.585 HG23 ' CG1' ' A' ' 130' ' ' VAL . 4.9 mm -89.66 134.14 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.622 ' C ' HD23 ' A' ' 84' ' ' LEU . 5.7 tt -141.81 119.98 12.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.619 HG12 ' CE1' ' A' ' 132' ' ' HIS . 34.6 m -136.22 159.56 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.995 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.557 ' CG1' HD11 ' A' ' 84' ' ' LEU . 35.1 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -103.8 114.93 29.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -106.42 115.75 30.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.588 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -69.46 123.6 21.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -93.28 149.89 20.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 98' ' ' LEU . 6.0 mp -58.6 -35.82 73.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.94 -19.28 51.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 114.16 -44.69 1.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.55 131.4 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 0.735 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 129.24 34.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.81 HD11 ' O ' ' A' ' 77' ' ' TYR . 32.8 mt -85.04 155.97 21.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.03 131.57 55.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -141.83 124.9 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -138.57 174.79 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 111' ' ' VAL . 27.3 tp -124.67 117.38 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -135.9 134.04 38.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 1.2 t-20 61.11 16.35 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 2.2 t-20 81.96 10.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.564 ' O ' HD12 ' A' ' 107' ' ' LEU . 15.1 t -107.97 150.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.3 t -104.33 133.25 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.65 149.35 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 114' ' ' VAL . 11.1 p -134.24 102.86 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 1.6 m-20 75.46 33.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt 71.8 25.37 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.602 ' OE2' HD23 ' A' ' 138' ' ' LEU . 2.0 mt-10 -116.84 138.91 25.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.2 Cg_endo -75.02 132.94 15.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 133' ' ' VAL . 56.5 t -87.68 146.94 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.718 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -76.27 -66.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -146.73 88.67 5.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.503 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -75.0 173.08 15.12 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.465 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 4.4 t70 76.62 60.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.793 ' CD1' HG23 ' A' ' 133' ' ' VAL . 11.9 mt -113.19 93.04 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -65.84 141.63 58.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -122.76 -166.35 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.894 ' OG1' HG22 ' A' ' 10' ' ' THR . 81.8 p -85.78 -23.86 27.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -158.58 48.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 163.23 -165.83 36.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.585 ' CG1' HG23 ' A' ' 83' ' ' ILE . 5.2 p -139.9 170.55 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.74 ' CG2' HG23 ' A' ' 11' ' ' VAL . 38.8 t -148.1 153.19 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.619 ' CE1' HG12 ' A' ' 85' ' ' VAL . 87.8 m-70 -140.4 99.83 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.793 HG23 ' CD1' ' A' ' 124' ' ' ILE . 64.7 t -57.57 129.16 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -106.5 171.39 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 120' ' ' ALA . 24.3 p -118.83 30.6 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.502 ' O ' HD12 ' A' ' 134' ' ' ILE . 1.3 m-20 179.39 148.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.91 110.67 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.602 HD23 ' OE2' ' A' ' 117' ' ' GLU . 25.5 mt -61.3 161.8 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -139.6 151.32 66.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.464 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.952 HG22 ' OG1' ' A' ' 127' ' ' THR . 6.1 p . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.832 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.6 -59.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.598 ' SD ' HG21 ' A' ' 28' ' ' ILE . 14.4 mmm -57.49 -47.9 80.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -55.94 -48.86 74.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 t -44.78 -29.64 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 mt -85.51 -42.71 14.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.682 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.9 mttt -59.41 -45.51 91.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.58 34.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.18 130.41 41.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.88 -34.09 59.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -44.55 -41.4 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -109.16 58.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.7 p -88.73 -54.17 4.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.2 mtp -52.91 -42.12 65.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 11.8 tp -53.97 -59.61 4.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' HG2' ' A' ' 16' ' ' LYS . 79.7 t -43.08 -54.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.73 -39.02 4.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 1.047 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -66.36 -44.32 83.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.598 HG21 ' SD ' ' A' ' 12' ' ' MET . 66.7 mt -63.03 -49.71 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -52.13 65.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -37.73 86.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.51 -30.91 69.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.38 34.01 15.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mt -102.13 -24.36 13.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.466 ' OG1' HG22 ' A' ' 28' ' ' ILE . 6.4 m -43.72 -50.17 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -53.99 51.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -54.33 -33.88 59.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' CB ' ' HG2' ' A' ' 12' ' ' MET . 22.6 mt -91.17 4.33 52.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -101.43 -21.84 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.98 151.99 23.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 155.68 7.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.612 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 141.96 -134.45 6.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 41' ' ' GLY . 11.4 m -157.56 131.52 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -155.71 117.9 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -89.4 102.37 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.631 HG13 HG13 ' A' ' 79' ' ' ILE . 3.3 t -104.34 156.44 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 80.4 m-85 -129.94 112.87 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.492 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.3 117.9 56.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.95 -179.14 4.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.484 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 2.7 p -86.48 178.22 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.68 -43.09 73.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -17.17 64.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -66.62 -58.3 5.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 71.0 m-85 -62.96 -36.68 84.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -60.15 -23.02 63.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.07 50.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 10.0 mt -54.4 141.35 53.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -74.97 175.2 11.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.4 20.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -84.67 -55.41 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.9 -15.82 63.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HG2' HD12 ' A' ' 65' ' ' LEU . 2.0 ttp180 -70.36 -73.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -19.22 15.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -60.06 -45.89 91.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.7 mt -97.53 -46.77 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.578 HD12 ' HG2' ' A' ' 61' ' ' ARG . 75.5 mt -60.07 -28.66 67.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.15 -85.35 1.06 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.18 119.53 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.7 78.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -57.82 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.74 -29.35 69.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.047 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.6 tt -61.33 -65.02 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.71 -45.52 66.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -42.07 -50.71 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.407 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 31.7 mm -64.41 -56.46 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.583 HD13 HG12 ' A' ' 28' ' ' ILE . 5.0 mt -46.58 -51.93 14.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -49.4 -52.04 31.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.635 ' O ' HD11 ' A' ' 103' ' ' LEU . 89.9 t80 -65.92 -19.18 65.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.0 m80 -86.26 -20.18 28.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.631 HG13 HG13 ' A' ' 45' ' ' VAL . 4.2 mt -101.13 147.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.55 176.56 17.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -117.03 38.04 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.489 ' HG2' HD21 ' A' ' 95' ' ' LEU . 3.9 pt-20 178.43 158.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.773 HG23 ' HB ' ' A' ' 130' ' ' VAL . 5.1 mm -92.25 101.86 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 85' ' ' VAL . 2.5 tt -115.15 121.58 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.726 HG12 ' CE1' ' A' ' 132' ' ' HIS . 18.7 m -136.46 175.64 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.016 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.416 ' CG1' HD11 ' A' ' 84' ' ' LEU . 24.7 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -104.94 106.01 16.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -89.3 116.99 27.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.493 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -73.1 122.12 21.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 p -92.56 177.69 6.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.5 mt -85.44 -45.68 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -47.63 -29.55 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 125.57 -40.73 1.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.45 133.82 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 133.28 35.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 77' ' ' TYR . 14.7 mt -89.32 147.8 23.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.98 130.37 53.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -139.98 127.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 p -140.72 171.19 14.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.1 tp -125.44 113.86 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -137.64 135.79 36.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 12.9 t30 59.59 18.75 7.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.5 t-20 76.25 15.99 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.4 t -110.17 139.48 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.7 t -99.62 139.82 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.74 150.74 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.7 p -138.23 104.88 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.583 HD22 HD22 ' A' ' 138' ' ' LEU . 6.8 m-20 75.02 31.56 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 70.55 29.46 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -122.63 144.53 42.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 140.16 25.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 133' ' ' VAL . 72.1 t -97.22 147.7 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.792 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -79.27 -65.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.452 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.9 mt-10 -147.6 88.62 5.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.502 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.99 -178.4 4.14 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.798 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.459 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 2.4 m-20 63.32 65.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.772 HD12 HG12 ' A' ' 131' ' ' VAL . 20.8 mt -113.23 92.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 3.6 mmt -58.93 134.7 57.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -122.15 -166.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.952 ' OG1' HG22 ' A' ' 10' ' ' THR . 43.4 p -85.4 -34.63 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.449 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.59 49.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 166.54 -164.69 37.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.773 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -141.08 170.28 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.832 ' CG2' HG23 ' A' ' 11' ' ' VAL . 28.9 t -148.35 147.91 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.726 ' CE1' HG12 ' A' ' 85' ' ' VAL . 80.3 m-70 -137.56 97.14 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 120' ' ' ALA . 89.5 t -56.78 130.99 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.1 pt -106.05 171.29 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 40.7 p -118.81 31.75 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.391 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 174.43 144.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.9 125.18 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.583 HD22 HD22 ' A' ' 115' ' ' ASN . 20.3 mt -77.53 157.77 30.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -139.2 151.48 67.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.407 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.877 HG22 ' OG1' ' A' ' 127' ' ' THR . 3.7 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.407 -0.219 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.842 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.01 -56.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.624 ' SD ' HD13 ' A' ' 28' ' ' ILE . 8.0 mmm -61.41 -52.76 63.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.3 m-20 -49.75 -47.86 50.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -45.88 -36.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 47' ' ' ALA . 13.6 mt -73.53 -37.96 65.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.5 mttt -64.13 -41.11 97.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.01 -56.48 24.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.68 129.39 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -72.93 -42.34 63.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -39.99 -43.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.3 m-85 -103.8 54.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 p -89.16 -66.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.03 -31.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.74 -56.67 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.749 ' HA ' HD12 ' A' ' 28' ' ' ILE . 65.4 t -42.24 -51.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.43 -51.67 8.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.814 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -51.46 -55.75 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 25' ' ' VAL . 5.1 mt -51.48 -64.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -45.29 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -50.01 68.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.05 -32.56 72.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.24 42.73 5.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.08 -20.95 13.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.521 ' OG1' HG22 ' A' ' 28' ' ' ILE . 9.3 m -45.95 -53.69 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.4 mt-10 -54.32 -57.4 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -44.69 -50.03 10.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.72 -21.7 59.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' GLU . 8.2 t-20 -67.83 -31.09 70.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -79.75 143.71 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.62 159.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.524 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 141.72 -137.5 8.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 41' ' ' GLY . 3.7 m -155.0 130.98 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -156.63 118.75 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.513 ' HB ' HD11 ' A' ' 95' ' ' LEU . 19.5 m -88.98 105.47 17.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.448 HG13 HG13 ' A' ' 79' ' ' ILE . 3.3 t -110.44 155.88 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 98.6 m-85 -127.91 114.05 16.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.551 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -103.72 116.82 61.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.02 -175.9 2.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -90.69 -172.15 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -75.94 -46.63 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -19.64 62.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -63.6 -58.89 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 53.2 m-85 -62.49 -34.88 77.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -64.12 -24.31 67.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.03 -43.1 59.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.628 HD11 HG11 ' A' ' 137' ' ' VAL . 12.6 mt -42.11 143.49 1.01 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 163.0 36.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.52 8.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.48 -32.67 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.489 ' OE2' HD22 ' A' ' 56' ' ' LEU . 3.6 tt0 -95.9 -17.21 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -73.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.7 t -52.71 -23.04 5.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -57.65 -68.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.91 -48.34 71.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.98 -15.54 32.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -97.35 -85.32 1.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.23 141.31 57.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.37 -47.51 8.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -42.31 -67.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.47 -40.65 59.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.814 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -50.21 -70.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.99 -38.06 35.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -51.17 -46.02 61.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.472 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 24.4 mm -69.99 -52.25 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 79' ' ' ILE . 8.0 mt -50.88 -53.18 34.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -47.34 -53.84 12.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.594 ' O ' HD11 ' A' ' 103' ' ' LEU . 78.9 t80 -62.22 -20.53 64.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.4 m80 -84.34 -18.75 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.621 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.752 HG22 HD21 ' A' ' 98' ' ' LEU . 2.9 mt -103.17 146.84 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.42 176.05 17.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -114.52 45.12 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.439 ' HG2' ' CD2' ' A' ' 95' ' ' LEU . 1.1 pt-20 171.65 158.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.776 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.4 mm -92.06 121.14 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.441 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 4.4 tt -124.47 120.65 32.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.645 ' CG1' HG21 ' A' ' 130' ' ' VAL . 31.0 m -134.88 162.0 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.448 ' HB2' HD22 ' A' ' 107' ' ' LEU . 88.0 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -105.87 106.52 17.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.513 HD11 ' HB ' ' A' ' 44' ' ' THR . 1.1 tt -90.3 115.17 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.506 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -69.54 130.68 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -105.63 149.89 25.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.752 HD21 HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -59.48 -47.41 85.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.415 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 5.7 tm0? -44.75 -34.82 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.96 -46.94 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.64 133.9 52.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -80.42 134.13 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 77' ' ' TYR . 27.4 mt -92.78 143.49 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -102.34 130.37 49.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.35 125.1 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 p -136.81 177.95 7.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.448 HD22 ' HB2' ' A' ' 86' ' ' SER . 51.8 tp -137.25 106.7 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -133.39 143.0 48.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 13.8 m120 56.5 18.92 3.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.3 t-20 75.19 18.07 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.47 137.93 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -100.8 141.12 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.01 152.74 51.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 114' ' ' VAL . 12.6 p -139.09 106.87 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.637 HD22 HD22 ' A' ' 138' ' ' LEU . 9.5 m-20 73.1 28.91 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt 73.64 30.16 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.629 ' OE1' HD23 ' A' ' 138' ' ' LEU . 2.7 mt-10 -122.88 143.5 40.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.97 18.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 133' ' ' VAL . 79.4 t -92.57 153.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.716 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -83.53 -69.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -145.04 86.57 7.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.496 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.97 177.91 7.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 2.6 t70 75.72 61.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.727 HD12 HG12 ' A' ' 131' ' ' VAL . 11.7 mt -115.83 93.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.6 mmt -68.5 132.34 46.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.09 -167.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.877 ' OG1' HG22 ' A' ' 10' ' ' THR . 18.8 p -88.99 -9.8 50.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.66 47.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 160.32 -166.12 35.14 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.776 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -138.39 169.99 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.842 ' CG2' HG23 ' A' ' 11' ' ' VAL . 24.5 t -148.25 149.42 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 67.5 m-70 -137.84 102.1 4.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.603 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.716 HG12 ' HB3' ' A' ' 120' ' ' ALA . 93.5 t -59.67 122.16 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 136' ' ' ASN . 43.0 pt -100.73 167.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.552 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 42.2 p -116.7 39.34 3.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.688 ' O ' HD12 ' A' ' 134' ' ' ILE . 1.0 OUTLIER 170.86 149.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.628 HG11 HD11 ' A' ' 56' ' ' LEU . 71.2 t -78.61 115.33 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.637 HD22 HD22 ' A' ' 115' ' ' ASN . 14.0 mt -65.97 158.26 28.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -143.96 146.98 36.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.472 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.944 HG22 ' OG1' ' A' ' 127' ' ' THR . 7.7 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.779 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -39.59 -55.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.604 ' SD ' HG21 ' A' ' 28' ' ' ILE . 14.2 mmm -60.16 -55.28 35.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' LYS . 10.5 m-20 -49.6 -48.85 48.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.6 t -44.56 -34.34 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.664 HD22 ' CB ' ' A' ' 47' ' ' ALA . 12.2 mt -78.08 -40.42 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.695 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.5 mttt -65.19 -44.82 87.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.41 -63.44 4.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.72 140.27 56.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 0.785 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -80.0 -36.67 35.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.2 -30.69 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -117.34 53.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.0 p -88.44 -68.92 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.543 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 56.6 mtp -41.12 -43.18 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.3 tp -49.4 -57.93 6.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.695 HG11 ' HG2' ' A' ' 16' ' ' LYS . 74.3 t -42.52 -51.34 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -44.25 -46.26 8.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 1.015 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.68 -45.33 92.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 25' ' ' VAL . 10.6 mt -64.99 -50.5 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.55 -45.69 69.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -45.42 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.52 67.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.32 42.96 26.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mt -104.73 -23.43 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -40.52 -56.66 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -57.13 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -52.52 -34.52 50.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.5 mt -93.43 8.39 40.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.54 -19.02 13.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -87.3 145.9 26.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -54.28 142.87 24.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.664 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 155.76 -132.59 3.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -159.54 130.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -156.27 119.9 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.9 m -89.91 100.72 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.536 HG13 HG13 ' A' ' 79' ' ' ILE . 2.7 t -102.26 155.94 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 82.5 m-85 -128.95 109.45 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.664 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -104.06 117.75 58.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.503 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.3 Cg_endo -74.99 -177.19 3.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.9 p -87.91 -172.22 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -51.91 11.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.15 -21.87 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -58.92 -55.16 38.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' LEU . 44.4 m-85 -62.65 -48.8 77.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -22.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -75.35 -39.84 58.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.616 HD11 HG11 ' A' ' 137' ' ' VAL . 14.0 mt -49.37 142.46 10.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -75.02 172.96 15.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.47 18.05 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -93.62 -42.95 8.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.7 -18.49 51.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.687 ' HD3' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -69.0 -74.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -19.84 8.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -47.91 79.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 mt -90.47 -47.46 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' HD3' ' A' ' 61' ' ' ARG . 95.7 mt -61.43 -17.34 53.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.4 -80.93 1.54 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.01 125.2 22.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.32 -42.59 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -61.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -29.66 67.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.015 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -57.4 -69.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.88 -40.54 43.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -48.66 -47.55 40.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 26.2 mm -68.85 -53.26 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 79' ' ' ILE . 10.8 mt -49.25 -45.99 45.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -51.74 -55.11 21.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.606 ' O ' HD11 ' A' ' 103' ' ' LEU . 89.8 t80 -63.66 -15.41 58.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.3 m80 -88.11 -20.06 26.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.771 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.2 mt -101.08 151.62 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.75 169.69 13.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.712 ' OD2' HD23 ' A' ' 98' ' ' LEU . 3.6 m-20 -100.59 12.07 38.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -166.58 165.5 16.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.669 HG23 ' HB ' ' A' ' 130' ' ' VAL . 8.7 mm -90.42 126.34 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 85' ' ' VAL . 2.3 tt -131.52 119.84 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.805 HG12 ' HE1' ' A' ' 132' ' ' HIS . 26.9 m -136.46 171.57 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 84' ' ' LEU . 98.6 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -91.33 117.25 29.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 96' ' ' LYS . 2.5 tt -104.82 117.78 34.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.547 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -74.95 110.18 9.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 98' ' ' LEU . 11.5 t -78.84 177.42 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.032 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.712 HD23 ' OD2' ' A' ' 81' ' ' ASP . 8.8 mt -82.08 -47.53 12.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -34.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.14 -43.09 1.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.78 136.6 57.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.43 126.39 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.606 HD11 ' O ' ' A' ' 77' ' ' TYR . 49.5 mt -81.43 163.19 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.84 130.74 49.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 93' ' ' VAL . 3.4 t -142.67 124.72 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 p -129.37 174.2 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.923 HD13 HG22 ' A' ' 112' ' ' VAL . 23.3 tp -135.19 112.89 10.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -137.46 145.24 42.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.2 m120 56.59 18.57 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.8 t-20 78.32 7.36 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.48 ' O ' HD12 ' A' ' 107' ' ' LEU . 6.1 t -105.1 142.7 17.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.923 HG22 HD13 ' A' ' 107' ' ' LEU . 68.2 t -95.95 145.79 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.03 152.54 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -138.73 106.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.617 HD22 HD22 ' A' ' 138' ' ' LEU . 16.1 m-20 71.56 34.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 4.8 mtmm 68.79 34.73 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.49 ' OE2' HD23 ' A' ' 138' ' ' LEU . 1.6 mt-10 -126.82 142.29 43.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.54 20.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 133' ' ' VAL . 55.4 t -93.3 149.88 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.724 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.27 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.537 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.8 mt-10 -147.3 88.14 5.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.549 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.97 -178.07 3.9 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.4 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 1.9 m-20 62.92 65.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.771 HD12 HG12 ' A' ' 131' ' ' VAL . 14.5 mt -114.89 92.29 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 3.9 mmt -60.47 130.01 44.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -112.32 -166.2 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.944 ' OG1' HG22 ' A' ' 10' ' ' THR . 17.2 p -93.56 -10.09 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -170.59 45.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 162.43 -163.7 35.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.669 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -137.53 169.56 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.779 ' CG2' HG23 ' A' ' 11' ' ' VAL . 24.7 t -149.0 145.98 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.805 ' HE1' HG12 ' A' ' 85' ' ' VAL . 67.9 m-70 -136.41 97.88 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.724 HG12 ' HB3' ' A' ' 120' ' ' ALA . 92.7 t -57.18 127.56 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.3 pt -105.49 171.46 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.443 HG22 ' HB2' ' A' ' 120' ' ' ALA . 61.4 p -118.33 35.23 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.656 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER 175.09 149.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.616 HG11 HD11 ' A' ' 56' ' ' LEU . 80.8 t -78.85 107.06 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.617 HD22 HD22 ' A' ' 115' ' ' ASN . 27.7 mt -56.78 157.63 5.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -141.05 151.55 62.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.961 HG22 ' OG1' ' A' ' 127' ' ' THR . 20.0 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.71 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -43.91 -49.88 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.564 ' SD ' HG21 ' A' ' 28' ' ' ILE . 20.4 mmm -62.98 -55.98 21.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -50.15 -44.39 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -48.18 -33.57 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 47' ' ' ALA . 8.7 mt -81.27 -43.02 19.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.681 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.4 mttt -59.64 -49.12 78.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.86 -56.19 19.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.83 122.55 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -67.86 -33.82 75.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -53.76 -26.98 26.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.8 m-85 -118.55 44.88 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -86.94 -51.76 5.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.957 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -34.68 68.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.5 tp -61.09 -52.74 63.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.681 HG11 ' HG2' ' A' ' 16' ' ' LYS . 70.4 t -45.0 -51.55 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.17 -38.48 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.909 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -67.04 -46.29 74.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.564 HG21 ' SD ' ' A' ' 12' ' ' MET . 18.8 mt -65.51 -48.47 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -53.91 44.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -40.82 97.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.32 72.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.61 41.83 9.58 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -106.91 -24.43 12.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.426 ' OG1' HG22 ' A' ' 28' ' ' ILE . 15.5 m -41.91 -51.21 4.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.366 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -57.47 10.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -55.24 -28.76 55.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -95.81 3.42 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.1 t-20 -105.16 -20.44 13.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.93 145.77 31.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -57.18 136.32 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.639 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 160.62 -129.97 2.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.429 1.08 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -159.17 130.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -156.27 119.84 4.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 m -91.47 107.1 18.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.578 HG22 HG12 ' A' ' 79' ' ' ILE . 4.6 t -110.84 157.71 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 94.7 m-85 -128.82 116.07 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.681 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -108.49 117.1 55.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.559 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.97 167.14 27.71 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.756 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.9 p -67.17 -177.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -78.03 -39.7 41.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -12.05 61.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.92 -60.71 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.559 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 60.8 m-85 -60.22 -32.48 71.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -64.03 -26.97 68.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.72 -40.33 55.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.3 mt -44.88 139.39 3.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -74.99 174.08 13.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.29 21.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -87.18 -43.89 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.19 -23.2 51.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -65.5 -76.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -53.49 -28.35 30.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -46.02 72.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -97.72 -47.01 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.5 HD12 ' HG2' ' A' ' 61' ' ' ARG . 91.9 mt -60.82 -15.71 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -98.49 -79.64 1.47 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.03 132.9 55.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.16 -47.16 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -46.84 -56.28 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.79 -32.53 72.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.909 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -57.3 -70.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.98 -42.05 59.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -46.53 -49.15 19.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mm -65.99 -54.53 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 78' ' ' HIS . 6.2 mt -48.37 -52.36 22.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -45.68 -51.24 12.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.656 ' O ' HD11 ' A' ' 103' ' ' LEU . 64.7 t80 -64.69 -24.3 67.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 11.5 m80 -81.88 -20.65 38.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.578 HG12 HG22 ' A' ' 45' ' ' VAL . 6.1 mt -101.7 150.0 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.03 177.29 16.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -112.96 38.14 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.8 pt-20 174.16 161.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.56 HG23 ' HB ' ' A' ' 130' ' ' VAL . 8.4 mm -93.15 130.71 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 85' ' ' VAL . 4.1 tt -136.85 120.02 16.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.608 ' N ' HD23 ' A' ' 84' ' ' LEU . 15.6 m -134.63 168.84 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.992 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.7 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -104.9 113.49 27.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -95.38 119.55 34.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.648 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -69.38 127.33 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -101.71 174.36 5.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.53 -45.2 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.94 -30.39 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.54 -43.98 1.28 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.31 129.95 40.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.92 139.28 40.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.656 HD11 ' O ' ' A' ' 77' ' ' TYR . 29.0 mt -92.64 138.39 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.72 130.56 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 113' ' ' SER . 2.3 t -140.32 127.18 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 p -140.74 173.1 11.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 45.0 tp -125.29 108.32 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -129.12 138.61 51.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 58.46 19.16 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 75.17 19.33 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.9 t -114.98 143.9 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.1 144.06 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.433 ' O ' HG13 ' A' ' 105' ' ' VAL . 0.6 OUTLIER -138.94 150.22 45.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.484 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 4.3 p -135.76 101.65 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 3.2 m-20 78.75 31.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.404 ' C ' ' OE1' ' A' ' 117' ' ' GLU . 0.0 OUTLIER 76.6 1.33 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -92.55 142.23 25.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.31 26.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 133' ' ' VAL . 96.6 t -99.4 158.4 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -92.53 -81.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.535 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.8 mm-40 -124.33 87.11 54.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.37 4.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.71 64.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.728 HD12 HG12 ' A' ' 131' ' ' VAL . 17.0 mt -112.34 92.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 4.3 mmt -63.31 130.7 45.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -113.03 -166.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.961 ' OG1' HG22 ' A' ' 10' ' ' THR . 43.8 p -90.85 -15.83 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.441 HD22 ' N ' ' A' ' 128' ' ' ASN . 0.2 OUTLIER -166.23 45.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 163.26 -167.72 37.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.56 ' HB ' HG23 ' A' ' 83' ' ' ILE . 1.7 p -133.56 170.24 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.728 HG12 HD12 ' A' ' 124' ' ' ILE . 24.3 t -147.89 147.58 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.585 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 69.0 m-70 -136.65 97.17 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.624 HG23 ' CD1' ' A' ' 124' ' ' ILE . 86.8 t -58.92 126.87 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -104.33 170.63 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.541 HG22 ' HB2' ' A' ' 120' ' ' ALA . 4.9 p -110.81 23.73 13.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.455 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.677 ' O ' HD12 ' A' ' 134' ' ' ILE . 1.9 m-80 174.91 152.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 64.4 t -70.53 132.09 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 21.7 mt -77.52 162.77 26.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -142.5 144.54 30.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 127' ' ' THR . 4.8 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.836 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.74 -55.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.512 ' SD ' HG21 ' A' ' 28' ' ' ILE . 10.5 mmm -55.54 -46.77 77.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -58.06 -48.18 80.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.42 -30.67 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 12' ' ' MET . 11.9 mt -81.21 -41.22 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HG2' HG11 ' A' ' 25' ' ' VAL . 13.0 mttt -60.91 -43.3 98.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.35 -53.87 42.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.72 130.89 44.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -78.08 -42.82 30.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -38.45 -43.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -107.46 55.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 p -82.4 -58.99 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.952 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.13 -44.54 32.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 9.0 tp -47.63 -53.79 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.708 ' HA ' HD12 ' A' ' 28' ' ' ILE . 38.5 t -47.37 -58.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.53 -49.25 4.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.661 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -54.38 -46.74 73.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 25' ' ' VAL . 9.7 mt -64.19 -56.59 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -48.53 -42.47 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -46.71 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 -32.61 71.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.69 40.72 8.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.35 -19.2 14.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.5 m -48.31 -52.68 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.8 mt-10 -48.75 -59.12 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -45.14 -54.49 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD13 ' HG2' ' A' ' 12' ' ' MET . 9.0 mt -68.41 -19.87 64.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 5.3 t-20 -70.06 -27.58 64.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -82.05 140.72 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.05 143.25 39.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.503 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 159.52 -133.45 3.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.122 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 41' ' ' GLY . 1.6 m -154.34 130.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -157.35 117.34 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.1 m -87.85 110.16 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 79' ' ' ILE . 10.1 t -113.8 157.92 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 86.0 m-85 -128.94 117.97 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.426 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -103.97 117.73 58.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.486 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -74.96 -179.67 5.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' ' 135' ' ' THR . 29.8 p -78.67 -171.41 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -80.09 -47.65 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.07 -12.62 60.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -62.78 -49.66 74.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.42 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 38.4 m-85 -68.56 -45.37 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -55.49 -25.83 39.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.14 -46.3 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 89.9 mt -42.87 140.11 1.95 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -74.97 165.82 30.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.32 9.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -94.32 -41.88 9.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.7 tp10 -93.53 -47.72 6.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -62.22 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -50.55 -50.88 52.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.09 -54.84 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 71' ' ' LEU . 5.8 mt -51.84 -59.68 4.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -60.55 -17.02 43.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.369 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.8 -94.8 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -61.1 122.74 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.61 75.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.73 -64.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.84 -37.72 63.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.661 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -58.97 -70.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.87 -37.52 6.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -49.87 -49.84 47.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.467 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 21.8 mm -65.02 -52.14 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.7 mt -51.07 -49.51 60.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -50.2 -54.34 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.566 ' O ' HD21 ' A' ' 103' ' ' LEU . 89.3 t80 -62.58 -17.46 60.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -87.95 -21.3 24.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.635 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.4 mt -101.49 147.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.55 169.09 12.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -106.07 39.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 171.19 162.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.442 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.7 mm -88.3 130.86 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.681 ' C ' HD23 ' A' ' 84' ' ' LEU . 4.1 tt -138.51 119.81 14.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.846 HG12 ' HE1' ' A' ' 132' ' ' HIS . 11.8 m -138.12 176.84 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.974 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.5 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -90.26 114.76 26.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -104.84 113.96 27.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.527 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -65.5 128.84 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 p -101.3 173.2 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.74 -57.59 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -39.49 -31.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.94 -44.06 1.27 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 133.24 51.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -78.93 135.22 36.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.566 HD21 ' O ' ' A' ' 77' ' ' TYR . 42.3 mt -88.59 133.4 34.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -96.98 130.61 44.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.98 125.89 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.1 p -131.23 178.45 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.603 HD13 HG22 ' A' ' 112' ' ' VAL . 14.6 tp -134.17 108.14 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.04 137.36 42.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 96.4 m-20 59.61 17.93 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.5 t-20 74.89 22.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.3 t -116.06 140.48 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.603 HG22 HD13 ' A' ' 107' ' ' LEU . 75.0 t -99.16 136.0 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.49 152.96 48.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.542 HG13 HD21 ' A' ' 138' ' ' LEU . 6.6 p -134.82 110.82 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.518 HD22 HD22 ' A' ' 138' ' ' LEU . 22.3 m-20 68.75 30.75 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 74.05 27.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.654 ' OE1' HD23 ' A' ' 138' ' ' LEU . 5.1 mt-10 -118.99 142.79 32.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.2 Cg_endo -74.98 135.53 19.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 133' ' ' VAL . 53.5 t -91.45 151.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.82 -69.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -143.88 87.65 7.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.516 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.1 Cg_endo -75.03 177.61 8.37 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.42 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 7.1 t0 73.8 56.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.801 HD11 HG23 ' A' ' 133' ' ' VAL . 10.4 mt -109.34 92.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.3 mmt -67.07 132.96 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.02 -169.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -93.92 2.15 56.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.411 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -175.6 49.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.0 -159.01 27.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.02 170.42 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.836 ' CG2' HG23 ' A' ' 11' ' ' VAL . 40.4 t -147.83 152.78 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.846 ' HE1' HG12 ' A' ' 85' ' ' VAL . 84.7 m-70 -138.64 102.02 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.801 HG23 HD11 ' A' ' 124' ' ' ILE . 98.2 t -59.89 126.95 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 136' ' ' ASN . 12.9 pt -105.0 165.82 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.563 ' HA ' HG23 ' A' ' 49' ' ' THR . 30.8 p -111.1 29.56 7.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.486 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.9 OUTLIER 175.42 147.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.423 HG23 ' HB1' ' A' ' 52' ' ' ALA . 93.3 t -74.27 127.66 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.654 HD23 ' OE1' ' A' ' 117' ' ' GLU . 23.8 mt -75.66 161.34 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -141.13 150.38 58.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.467 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.533 1.807 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.735 HG22 HG22 ' A' ' 127' ' ' THR . 3.2 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.671 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.71 -51.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.756 ' SD ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -56.79 -47.88 79.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.0 m-20 -62.28 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -49.24 -34.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.53 -41.33 55.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HG2' HG11 ' A' ' 25' ' ' VAL . 16.6 mttt -65.38 -46.73 78.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.3 -46.15 80.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.29 137.8 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -84.46 -41.07 16.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -42.25 -41.92 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -108.01 58.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -89.17 -45.48 9.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.963 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -36.87 80.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.578 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.2 tp -58.11 -55.43 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.576 HG11 ' HG2' ' A' ' 16' ' ' LYS . 44.2 t -44.12 -54.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.12 -46.76 4.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.852 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.32 -45.14 92.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.677 HG22 ' OG1' ' A' ' 34' ' ' THR . 26.6 mt -60.3 -57.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -52.34 47.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -45.59 93.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.493 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -63.12 -33.14 74.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 86.14 41.12 7.19 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 75' ' ' LEU . 2.5 mt -109.13 -18.42 13.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.736 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.756 HG23 ' SD ' ' A' ' 12' ' ' MET . 9.9 m -49.95 -37.62 32.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.5 mt-10 -63.09 -58.39 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -49.03 -36.73 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 mt -81.5 -22.51 37.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLU . 2.9 t-20 -68.68 -32.84 72.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -78.71 141.95 37.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.74 155.11 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.67 -139.79 7.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -150.8 130.37 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.501 ' HB3' HG23 ' A' ' 79' ' ' ILE . 61.9 m-85 -156.95 117.91 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.1 m -85.44 102.05 13.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.641 HG13 HG13 ' A' ' 79' ' ' ILE . 2.7 t -104.82 157.25 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 95.2 m-85 -129.98 111.19 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.578 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -103.99 117.6 59.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -75.04 -172.51 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 p -91.71 -168.77 2.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.35 -52.54 8.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -14.26 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -65.68 -59.26 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 40.3 m-85 -58.79 -37.64 76.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -62.67 -26.51 68.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -66.16 -36.71 83.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.581 HD11 HG11 ' A' ' 137' ' ' VAL . 65.8 mt -52.69 151.78 7.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 174.08 13.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.27 -63.09 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.88 -43.48 49.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -53.84 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' GLY . 3.8 t -44.8 -34.24 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -67.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.475 HD11 HG13 ' A' ' 74' ' ' ILE . 13.5 mt -57.0 -53.7 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.71 -16.9 44.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.16 -92.57 1.04 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.64 142.47 57.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.98 -45.81 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -57.76 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.19 -41.37 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.852 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -53.18 -69.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.493 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -46.65 -42.12 15.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -45.3 -55.44 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.475 HG13 HD11 ' A' ' 64' ' ' LEU . 27.8 mm -58.65 -51.35 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.8 mt -51.21 -47.14 62.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -53.87 -49.6 68.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.453 ' O ' HD21 ' A' ' 103' ' ' LEU . 63.5 t80 -69.44 -6.31 29.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.6 m80 -98.31 -21.26 16.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.649 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.813 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.0 mt -102.0 147.16 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.678 ' HA3' HD21 ' A' ' 95' ' ' LEU . . . -112.39 166.74 12.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -99.3 28.47 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -177.94 163.26 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.689 HD12 HG12 ' A' ' 130' ' ' VAL . 14.4 mm -88.88 131.35 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.452 ' C ' HD23 ' A' ' 84' ' ' LEU . 8.6 tt -130.01 119.52 23.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.96 159.57 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 105' ' ' VAL . 74.3 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -107.86 108.95 20.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.678 HD21 ' HA3' ' A' ' 80' ' ' GLY . 5.7 tt -93.54 133.71 36.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -88.42 109.75 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.7 t -86.37 175.2 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.56 -36.79 13.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -48.47 -32.25 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.87 -45.51 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.31 130.5 40.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 131.8 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.453 HD21 ' O ' ' A' ' 77' ' ' TYR . 10.9 mt -77.32 164.77 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -129.82 129.74 44.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' VAL . 2.5 t -143.3 122.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 p -129.76 164.53 23.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.832 HD12 ' O ' ' A' ' 111' ' ' VAL . 26.7 tp -127.45 113.17 15.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.47 146.93 46.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 45.8 m-80 56.74 19.17 4.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 7.8 t-20 76.88 11.58 2.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.832 ' O ' HD12 ' A' ' 107' ' ' LEU . 5.8 t -108.54 146.62 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.82 HG22 HD13 ' A' ' 107' ' ' LEU . 66.5 t -96.56 135.3 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.5 OUTLIER -127.84 149.25 50.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.051 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.649 HG13 HD21 ' A' ' 138' ' ' LEU . 9.9 p -134.72 110.76 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.717 HD22 HD22 ' A' ' 138' ' ' LEU . 47.9 m-20 67.78 31.24 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.37 34.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.41 142.87 44.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.39 20.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 133' ' ' VAL . 73.9 t -92.6 146.42 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.824 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -75.84 -64.61 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -149.23 88.63 5.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.483 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.93 174.22 13.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.462 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 0.1 OUTLIER 75.15 58.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.783 ' CD1' HG23 ' A' ' 133' ' ' VAL . 10.4 mt -110.43 93.08 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.81 125.39 26.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -106.9 -169.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.735 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -95.77 9.06 41.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.407 ' OD1' ' HA ' ' A' ' 10' ' ' THR . 14.4 p-10 -179.45 52.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.49 -158.72 27.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.689 HG12 HD12 ' A' ' 83' ' ' ILE . 4.1 p -141.89 170.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.715 HG12 HD12 ' A' ' 124' ' ' ILE . 39.5 t -148.78 151.97 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 87.1 m-70 -138.37 99.69 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.615 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.824 HG12 ' HB3' ' A' ' 120' ' ' ALA . 84.1 t -57.54 129.9 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.1 pt -107.59 171.2 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 120' ' ' ALA . 39.4 p -117.31 26.44 9.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER -177.26 148.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.581 HG11 HD11 ' A' ' 56' ' ' LEU . 68.8 t -76.9 107.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.717 HD22 HD22 ' A' ' 115' ' ' ASN . 14.2 mt -55.89 160.88 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -141.84 152.61 62.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.956 HG22 ' OG1' ' A' ' 127' ' ' THR . 5.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.95 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.02 -54.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.702 ' SD ' HG21 ' A' ' 28' ' ' ILE . 5.9 mmm -62.51 -49.55 74.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' LYS . 25.1 m-20 -55.18 -45.09 75.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -46.59 -28.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 47' ' ' ALA . 4.0 mt -87.92 -36.08 17.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.615 ' HG2' HG11 ' A' ' 25' ' ' VAL . 13.2 mttt -67.52 -37.16 82.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.51 -59.43 7.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -67.64 125.99 27.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -71.19 -32.97 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.19 -37.39 4.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.6 m-85 -113.19 49.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 p -80.72 -52.37 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -45.88 67.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 9.8 tp -52.23 -55.88 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.707 ' HA ' HD12 ' A' ' 28' ' ' ILE . 55.4 t -41.23 -59.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -39.32 -39.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.733 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -61.25 -55.67 29.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 25' ' ' VAL . 3.4 mt -54.58 -51.39 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.18 -47.32 72.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -49.62 68.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB3' HD12 ' A' ' 75' ' ' LEU . . . -59.96 -32.7 71.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 82.54 46.47 6.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 36' ' ' THR . 4.0 mt -108.82 -14.52 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.7 m -47.65 -61.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.434 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.45 -51.0 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 33' ' ' LEU . 1.1 m -51.07 -50.44 58.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.481 HD13 ' HG2' ' A' ' 12' ' ' MET . 8.1 mt -77.58 -9.49 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.2 t-20 -90.9 19.47 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -126.47 145.19 50.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -57.09 151.35 15.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.477 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 142.62 -128.93 3.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.488 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.1 m -153.39 131.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -154.22 115.97 4.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' GLY . 3.6 m -94.0 101.97 14.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.544 HG13 HG13 ' A' ' 79' ' ' ILE . 3.5 t -107.11 154.93 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 89.1 m-85 -126.93 113.27 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.703 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -105.94 116.95 58.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.1 Cg_endo -75.03 -174.18 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.489 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 12.3 p -98.62 -176.19 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -69.83 -43.89 71.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -14.81 22.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -74.61 -67.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.56 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 70.6 m-85 -57.09 -29.11 63.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -29.99 71.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.15 -41.32 64.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 56' ' ' LEU . 9.3 mt -43.42 135.68 3.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.02 174.65 12.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.48 20.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.815 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -82.49 -44.78 15.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -19.65 53.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -67.32 -77.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -20.1 3.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -55.7 22.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.59 -46.56 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.16 -14.95 28.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.2 -86.72 1.86 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.85 131.26 50.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.21 -47.84 15.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -40.51 -59.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.86 -41.19 95.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.733 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -52.98 -67.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.67 -41.05 41.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.69 -47.97 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.7 mm -66.93 -49.6 72.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.838 ' O ' HD12 ' A' ' 79' ' ' ILE . 9.4 mt -52.93 -44.86 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -54.9 -45.82 74.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.424 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 84.5 t80 -72.76 -9.24 58.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.9 m80 -96.53 -18.93 19.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.63 143.89 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -112.52 156.03 15.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -97.42 41.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 0.805 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.446 ' HG2' HD21 ' A' ' 95' ' ' LEU . 2.3 pt-20 175.02 157.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.488 HG12 ' CG1' ' A' ' 42' ' ' VAL . 12.6 mm -92.83 125.1 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 2.7 tt -132.14 120.54 22.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.536 HG12 ' HE1' ' A' ' 132' ' ' HIS . 30.8 m -134.11 168.07 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.4 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -105.15 104.51 14.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -88.92 111.9 22.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.493 ' N ' HD23 ' A' ' 95' ' ' LEU . 23.6 tttt -69.94 127.42 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.67 149.16 25.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 98' ' ' LEU . 7.2 mp -50.25 -47.09 55.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.424 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 59.5 tp60 -43.5 -37.7 2.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.11 -46.97 1.04 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.94 130.79 43.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 136.26 39.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.1 mt -92.6 143.46 26.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -94.91 130.18 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -145.51 124.96 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 p -139.18 177.26 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.4 tp -129.1 108.61 10.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.36 136.55 39.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.76 18.6 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.8 t30 72.07 22.48 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.2 t -116.74 136.32 54.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.365 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.77 136.37 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.64 152.4 51.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.033 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.424 HG13 HD21 ' A' ' 138' ' ' LEU . 5.9 p -137.74 104.72 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.417 ' ND2' HD22 ' A' ' 138' ' ' LEU . 2.5 m-20 74.11 35.24 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 2.9 mtmp? 68.77 28.98 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.65 ' OE1' HD23 ' A' ' 138' ' ' LEU . 4.2 mt-10 -120.21 140.56 30.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.2 Cg_endo -74.98 134.32 17.7 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 133' ' ' VAL . 54.0 t -90.36 152.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.65 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -85.17 -71.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.427 ' O ' HD11 ' A' ' 124' ' ' ILE . 44.0 mt-10 -140.06 87.96 12.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -74.99 -177.91 3.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.5 65.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.86 HD11 HG23 ' A' ' 133' ' ' VAL . 29.1 mt -112.07 94.39 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.429 ' CE ' ' HA ' ' A' ' 125' ' ' MET . 7.0 mmt -56.76 133.33 54.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -121.47 -166.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.956 ' OG1' HG22 ' A' ' 10' ' ' THR . 29.8 p -82.43 -42.55 18.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.95 45.99 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.631 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 172.0 -167.13 40.1 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -136.45 170.21 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.95 ' CG2' HG23 ' A' ' 11' ' ' VAL . 15.4 t -148.69 144.2 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 79.3 m-70 -131.44 99.3 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.641 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.86 HG23 HD11 ' A' ' 124' ' ' ILE . 62.0 t -60.43 123.76 13.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.3 pt -100.76 170.55 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.65 HG22 ' HB2' ' A' ' 120' ' ' ALA . 70.0 p -115.83 24.25 11.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.624 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.9 OUTLIER -175.38 148.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.44 121.84 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.65 HD23 ' OE1' ' A' ' 117' ' ' GLU . 20.7 mt -72.29 162.09 29.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -143.88 148.58 42.95 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.526 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 1.061 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -47.3 -51.48 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.762 ' SD ' HD13 ' A' ' 28' ' ' ILE . 6.1 mmm -60.69 -63.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -47.28 -45.59 24.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 10' ' ' THR . 3.8 t -45.62 -31.81 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.475 HD22 ' CB ' ' A' ' 47' ' ' ALA . 9.8 mt -81.31 -38.56 26.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HG2' HG11 ' A' ' 25' ' ' VAL . 1.4 mtpt -62.51 -46.28 89.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.06 -47.5 60.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -80.74 132.21 35.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 0.767 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.94 -35.28 57.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.1 -39.56 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.5 57.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -68.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.2 mtp -40.47 -38.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 12.4 tp -58.43 -58.55 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.866 ' HA ' HD12 ' A' ' 28' ' ' ILE . 22.4 t -42.68 -57.86 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.66 -44.69 4.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.913 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -56.42 -44.76 80.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 25' ' ' VAL . 7.1 mt -66.31 -50.94 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -50.54 -48.34 57.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -32.0 65.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.494 ' CB ' HD12 ' A' ' 75' ' ' LEU . . . -70.78 -29.26 65.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 76.56 39.65 29.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mt -106.6 -19.26 13.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' ASN . 49.7 m -44.58 -57.15 3.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -48.11 62.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -26.27 64.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.477 HD23 ' CG ' ' A' ' 43' ' ' TYR . 9.4 mt -102.34 -1.29 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -107.11 22.15 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -121.24 141.25 51.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -46.54 129.45 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.03 -140.86 7.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -148.57 137.99 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.356 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CG ' HD23 ' A' ' 37' ' ' LEU . 91.7 m-85 -156.19 116.13 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.9 m -90.43 110.97 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 79' ' ' ILE . 8.7 t -115.57 157.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 91.9 m-85 -126.35 115.61 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -107.46 116.58 57.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.556 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.99 -177.28 3.36 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.599 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 2.9 p -93.15 172.25 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -61.83 -46.28 90.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.55 -22.84 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -64.15 -57.0 10.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 71.2 m-85 -64.06 -42.37 97.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -55.42 -20.67 12.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -80.17 -42.88 22.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 137' ' ' VAL . 10.8 mt -44.31 140.85 2.82 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -74.97 173.57 14.27 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -8.43 20.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -91.28 -45.89 8.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.168 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.21 -17.33 59.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -70.55 -75.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 66' ' ' GLY . 32.9 t -55.92 -24.76 39.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 1.4 mmm180 -59.35 -44.5 92.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.8 mt -96.01 -47.04 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.426 HD12 ' HG2' ' A' ' 61' ' ' ARG . 66.4 mt -60.73 -25.31 66.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -90.22 -76.93 1.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 129.06 38.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.51 -36.53 24.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.9 -56.18 17.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -62.86 -41.66 99.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.913 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -46.53 -69.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -47.01 -51.89 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' ALA . 5.0 t-20 -39.88 -46.73 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.9 mm -67.91 -52.2 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.494 HD12 ' CB ' ' A' ' 31' ' ' ALA . 6.3 mt -51.27 -54.73 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -44.85 -52.37 8.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.825 ' O ' HD11 ' A' ' 103' ' ' LEU . 79.6 t80 -63.24 -25.49 68.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.6 m80 -80.82 -20.91 41.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.565 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.579 HG12 HG22 ' A' ' 45' ' ' VAL . 3.9 mt -101.59 148.9 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.02 -175.49 18.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -120.82 33.27 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -179.96 161.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.736 HG23 ' HB ' ' A' ' 130' ' ' VAL . 5.2 mm -92.17 121.51 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 84' ' ' LEU . 8.8 tt -123.49 121.63 36.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.482 ' CG1' HG21 ' A' ' 130' ' ' VAL . 18.2 m -134.18 154.84 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.418 ' HB2' HD22 ' A' ' 107' ' ' LEU . 94.4 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -108.15 106.13 16.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.541 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -90.58 115.38 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.541 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -68.84 126.12 28.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 p -91.81 178.07 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.2 mt -85.94 -22.34 27.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.458 ' HA ' ' NE2' ' A' ' 99' ' ' GLN . 14.8 tp60 -79.93 1.24 28.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 99.35 -46.04 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.38 144.68 56.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.411 ' CG ' ' HG3' ' A' ' 96' ' ' LYS . 1.3 mptt -99.29 125.77 44.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.825 HD11 ' O ' ' A' ' 77' ' ' TYR . 16.8 mt -76.81 155.97 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -109.55 132.39 54.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.55 129.59 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.84 166.06 25.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.044 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 112' ' ' VAL . 28.8 tp -121.12 111.41 17.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -135.68 137.54 41.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 90.2 m-20 60.5 18.72 8.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 3.9 t-20 76.22 11.58 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.81 139.93 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.551 HG22 HD13 ' A' ' 107' ' ' LEU . 88.3 t -96.58 143.76 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.58 153.0 51.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -136.67 104.45 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.501 HD22 HD22 ' A' ' 138' ' ' LEU . 5.7 m-20 74.21 35.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt 70.05 25.53 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.833 ' OE1' HD23 ' A' ' 138' ' ' LEU . 3.7 mt-10 -117.31 140.84 27.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -75.01 132.86 15.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 133' ' ' VAL . 93.8 t -91.2 158.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.555 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -89.46 -77.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -131.64 86.04 50.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.85 5.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 t0 69.41 60.21 0.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.75 HD12 HG12 ' A' ' 131' ' ' VAL . 19.5 mt -110.41 92.7 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.86 130.49 43.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -114.06 171.55 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 58.6 p -71.59 -14.34 62.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.31 49.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.782 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 155.32 -173.04 33.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.736 ' HB ' HG23 ' A' ' 83' ' ' ILE . 4.5 p -131.48 170.21 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 1.061 ' CG2' HG23 ' A' ' 11' ' ' VAL . 26.1 t -148.48 153.6 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.587 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 53.5 m-70 -141.05 98.41 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.663 HG23 ' CD1' ' A' ' 124' ' ' ILE . 88.2 t -58.84 120.56 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.2 pt -99.18 171.49 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 120' ' ' ALA . 76.2 p -119.86 22.43 11.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.46 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.8 OUTLIER -169.33 147.64 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.59 HG11 HD11 ' A' ' 56' ' ' LEU . 67.2 t -75.74 114.41 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.833 HD23 ' OE1' ' A' ' 117' ' ' GLU . 17.0 mt -68.11 157.89 34.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -142.91 148.17 44.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.672 HG22 HG22 ' A' ' 127' ' ' THR . 3.7 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.83 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.85 -53.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.748 ' SD ' HD13 ' A' ' 28' ' ' ILE . 8.3 mmm -57.9 -45.73 86.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -57.99 -41.54 83.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.6 -28.99 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 12' ' ' MET . 12.5 mt -81.34 -35.5 30.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.686 ' HG2' HG11 ' A' ' 25' ' ' VAL . 16.4 mttt -69.36 -46.14 67.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.6 -49.91 59.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.18 125.82 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.364 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -73.81 -33.62 64.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -48.81 -39.61 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -107.91 54.74 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.7 p -87.89 -61.41 1.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.953 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.56 -27.79 0.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.5 tp -67.56 -57.92 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.686 HG11 ' HG2' ' A' ' 16' ' ' LYS . 72.4 t -42.87 -52.26 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.16 -47.73 6.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.933 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.2 -46.58 88.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.748 HD13 ' SD ' ' A' ' 12' ' ' MET . 70.3 mt -63.43 -52.8 53.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.87 -43.42 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -43.87 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.13 72.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.43 40.14 7.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 mt -106.99 -16.98 14.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.422 ' OG1' HG22 ' A' ' 28' ' ' ILE . 3.3 m -48.23 -36.82 14.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -55.89 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -55.14 -21.55 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 mt -103.58 8.06 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.83 18.62 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -115.45 148.77 39.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.47 114.98 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.07 -137.78 4.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.8 m -148.18 135.78 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -156.14 117.09 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 m -92.13 105.02 17.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.539 HG13 HG13 ' A' ' 79' ' ' ILE . 3.5 t -108.87 157.4 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 72.8 m-85 -126.81 112.86 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.506 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.87 116.37 59.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.97 -170.8 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.531 1.806 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 2.6 p -94.28 -177.94 4.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -69.83 -48.54 58.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.92 -26.74 64.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -57.93 -59.91 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 50.0 m-85 -60.61 -39.04 86.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -61.27 -22.32 64.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -73.34 -39.48 65.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 mt -45.89 146.16 2.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -2.46 12.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.5 -61.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.09 -42.21 63.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -55.91 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -49.24 -22.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -69.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 HG13 ' A' ' 74' ' ' ILE . 14.7 mt -56.18 -54.51 44.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.73 -20.96 62.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.07 -88.8 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.79 138.62 58.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.246 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.01 -44.35 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.76 -62.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.23 -33.09 67.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.933 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -61.51 -70.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.18 -36.47 19.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -50.71 -54.44 23.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.435 HG13 HD11 ' A' ' 64' ' ' LEU . 31.9 mm -61.24 -52.62 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.837 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.1 mt -50.57 -45.82 57.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -54.52 -50.75 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.426 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 81.2 t80 -70.68 -4.39 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.2 m80 -101.12 -19.77 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.586 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.82 146.51 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -114.81 154.01 17.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.493 ' CG ' ' CD1' ' A' ' 98' ' ' LEU . 5.7 m-20 -94.19 41.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 172.96 160.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.568 HG23 ' CG1' ' A' ' 130' ' ' VAL . 4.4 mm -89.41 136.53 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.649 ' C ' HD23 ' A' ' 84' ' ' LEU . 5.4 tt -139.35 119.76 13.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.539 ' CG1' HG21 ' A' ' 130' ' ' VAL . 15.9 m -137.75 157.01 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.935 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 105' ' ' VAL . 90.8 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -92.96 117.76 30.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 96' ' ' LYS . 1.6 tt -103.84 116.99 33.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.535 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -73.07 110.65 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 154.11 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 98' ' ' LEU . 5.2 mp -63.2 -32.0 73.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.426 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -56.28 -33.57 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.21 -47.03 1.04 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.53 127.96 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 134.16 44.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.4 136.73 32.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.53 130.0 39.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 93' ' ' VAL . 2.5 t -144.48 124.04 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 p -134.32 174.12 10.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.0 tp -128.05 112.14 14.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -137.79 139.75 40.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 10.7 t-20 58.03 17.57 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER 75.92 19.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 t -114.16 148.53 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.32 140.63 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.9 OUTLIER -136.1 153.47 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.642 HG13 HD21 ' A' ' 138' ' ' LEU . 3.1 p -135.72 116.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.446 HD22 HD22 ' A' ' 138' ' ' LEU . 77.4 m-20 64.15 26.71 13.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.32 35.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 113' ' ' SER . 1.6 mt-10 -126.53 142.73 43.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.09 19.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 133' ' ' VAL . 59.7 t -93.77 146.85 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.703 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -78.39 -65.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.568 ' O ' HD11 ' A' ' 124' ' ' ILE . 9.0 mt-10 -146.86 89.16 5.75 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.5 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.2 Cg_endo -74.98 -177.5 3.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.431 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 9.3 m-20 63.91 65.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.739 ' CD1' HG23 ' A' ' 133' ' ' VAL . 13.1 mt -116.76 93.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.55 125.19 24.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -105.8 -170.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.672 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -94.74 10.65 34.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.401 ' OD1' ' HA ' ' A' ' 10' ' ' THR . 10.4 p-10 176.03 49.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 149.73 -157.17 27.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.568 ' CG1' HG23 ' A' ' 83' ' ' ILE . 9.9 p -142.23 170.1 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.83 ' CG2' HG23 ' A' ' 11' ' ' VAL . 29.3 t -148.83 150.77 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.606 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 84.7 m-70 -139.11 96.86 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.739 HG23 ' CD1' ' A' ' 124' ' ' ILE . 67.7 t -56.99 127.74 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -105.75 170.58 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.597 HG22 ' HB2' ' A' ' 120' ' ' ALA . 13.7 p -115.23 23.9 12.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.55 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -178.1 142.85 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.59 124.96 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.642 HD21 HG13 ' A' ' 114' ' ' VAL . 21.3 mt -73.62 162.49 29.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -141.23 153.99 67.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.018 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.404 ' HB ' ' OD1' ' A' ' 128' ' ' ASN . 80.5 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.998 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -40.69 -51.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.71 ' HG2' HD13 ' A' ' 37' ' ' LEU . 1.9 mmm -61.33 -62.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.8 t0 -46.99 -44.17 19.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 11' ' ' VAL . 2.8 t -47.34 -36.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.485 HD22 ' CB ' ' A' ' 47' ' ' ALA . 7.9 mt -74.63 -34.24 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.573 ' HA ' HG21 ' A' ' 25' ' ' VAL . 3.8 mtpt -64.37 -36.67 84.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.31 -55.7 28.67 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.58 133.25 46.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -77.86 -35.34 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -45.27 -42.95 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -103.72 49.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.1 m -80.97 -67.49 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.2 mtp -40.55 -37.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.616 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.3 tp -60.37 -52.31 65.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.573 HG21 ' HA ' ' A' ' 16' ' ' LYS . 8.0 t -46.77 -59.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -40.09 -43.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -56.48 -60.7 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.677 HG13 HD13 ' A' ' 75' ' ' LEU . 3.2 mt -49.44 -55.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -46.55 52.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -47.25 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.14 -33.23 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.63 36.99 9.87 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 mt -100.31 -22.47 15.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.8 m -44.8 -57.19 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -43.24 -58.17 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -49.13 -54.47 16.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.71 HD13 ' HG2' ' A' ' 12' ' ' MET . 5.4 mt -69.57 -9.1 52.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.9 t-20 -81.76 -23.44 36.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -87.39 146.27 25.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.77 151.29 14.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.514 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 150.25 -135.08 5.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 41' ' ' GLY . 2.4 m -154.53 130.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -156.31 117.39 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 m -88.83 107.11 18.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.568 HG13 HG13 ' A' ' 79' ' ' ILE . 5.4 t -109.65 157.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.596 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 94.3 m-85 -127.71 113.7 16.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.497 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.59 116.56 58.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.554 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.1 Cg_endo -75.0 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 p -86.57 -171.9 3.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.66 -44.65 27.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.31 -25.61 68.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -55.02 -64.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.554 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 51.5 m-85 -54.49 -50.39 67.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -23.9 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -70.36 -32.8 70.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -57.14 149.52 45.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.85 13.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.26 -61.4 1.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.16 -44.39 64.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' C ' ' N ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -54.93 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -43.97 -27.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.417 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -69.53 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.26 -50.01 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -64.09 -16.56 62.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.47 -88.61 1.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.29 136.85 58.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -82.85 -47.12 12.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -61.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -28.87 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -62.32 -66.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.13 -41.16 62.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.41 -48.54 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.469 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 31.0 mm -67.69 -56.91 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 79' ' ' ILE . 5.7 mt -45.55 -50.4 13.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -49.28 -52.74 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.663 ' O ' HD21 ' A' ' 103' ' ' LEU . 92.9 t80 -64.63 -19.05 65.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -86.47 -20.7 27.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.4 mt -102.09 143.66 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.43 170.76 13.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -112.64 48.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HG2' HD21 ' A' ' 95' ' ' LEU . 2.1 pt-20 170.94 156.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.71 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.8 mm -92.05 108.13 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 84' ' ' LEU . 6.8 tt -120.31 121.99 39.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.223 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.789 HG12 ' HE1' ' A' ' 132' ' ' HIS . 25.6 m -136.71 171.27 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.83 106.41 16.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -88.66 115.84 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.564 ' N ' HD23 ' A' ' 95' ' ' LEU . 35.2 tttt -69.3 122.87 19.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.0 t -98.87 -178.53 3.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 mt -88.73 -45.92 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -48.84 -30.49 5.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.01 -46.23 1.09 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.39 132.28 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.62 133.58 35.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.663 HD21 ' O ' ' A' ' 77' ' ' TYR . 8.3 mt -85.01 134.14 34.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.29 130.22 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.31 125.41 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 p -135.47 178.07 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 111' ' ' VAL . 45.2 tp -135.08 106.51 6.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -129.55 138.27 51.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 15.9 t30 59.98 18.33 7.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 19.3 t30 76.8 14.6 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.557 ' O ' HD12 ' A' ' 107' ' ' LEU . 15.7 t -109.83 150.52 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.2 t -104.17 145.82 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.89 150.76 43.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.489 HG13 HD21 ' A' ' 138' ' ' LEU . 3.4 p -136.71 105.8 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.445 HD22 HD22 ' A' ' 138' ' ' LEU . 7.6 m-20 73.97 32.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 71.89 29.04 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.645 ' OE1' HD23 ' A' ' 138' ' ' LEU . 2.6 mt-10 -120.67 140.03 29.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -75.01 135.1 18.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 133' ' ' VAL . 98.8 t -94.08 158.2 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.572 ' HB2' ' CG2' ' A' ' 135' ' ' THR . . . -87.29 -79.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.509 ' O ' HD11 ' A' ' 124' ' ' ILE . 2.6 mm-40 -127.75 85.96 59.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 123' ' ' ASP . 18.4 Cg_endo -74.96 172.95 15.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 8.7 t0 75.92 56.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.77 ' CD1' HG23 ' A' ' 133' ' ' VAL . 14.5 mt -109.84 92.66 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.92 131.22 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -109.31 -176.57 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.9 p -79.85 -10.4 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.404 ' OD1' ' HB ' ' A' ' 10' ' ' THR . 5.9 p-10 -164.82 51.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.47 -167.8 30.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.71 ' HB ' HG23 ' A' ' 83' ' ' ILE . 1.8 p -133.55 170.4 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.998 ' CG2' HG23 ' A' ' 11' ' ' VAL . 30.2 t -147.51 156.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.789 ' HE1' HG12 ' A' ' 85' ' ' VAL . 81.3 m-70 -143.95 99.03 3.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.417 1.073 . . . . 0.0 109.614 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.77 HG23 ' CD1' ' A' ' 124' ' ' ILE . 90.6 t -59.82 122.0 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.3 pt -100.48 171.08 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.572 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 40.7 p -119.09 21.98 12.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.404 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.2 OUTLIER -172.43 138.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.68 121.6 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.645 HD23 ' OE1' ' A' ' 117' ' ' GLU . 16.8 mt -72.26 164.81 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -141.77 157.66 64.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.469 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.508 1.793 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' VAL . 2.9 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.982 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.1 OUTLIER -36.61 -53.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.708 ' SD ' HD13 ' A' ' 28' ' ' ILE . 7.7 mmm -58.87 -51.86 68.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -45.11 67.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.0 -25.63 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.666 HD22 ' CB ' ' A' ' 47' ' ' ALA . 5.7 mt -88.94 -35.32 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HA ' HG21 ' A' ' 25' ' ' VAL . 6.4 mtpt -70.92 -36.06 72.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.55 -43.13 98.5 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.05 129.96 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -73.71 -29.78 62.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.46 -41.83 53.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.9 m-85 -104.17 51.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 p -82.24 -66.23 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 78.5 mtp -40.44 -42.73 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 12.1 tp -56.43 -57.88 10.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 21' ' ' PHE . 36.7 t -41.01 -56.11 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.98 -49.78 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.364 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.886 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -49.73 -51.14 41.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.708 HD13 ' SD ' ' A' ' 12' ' ' MET . 68.3 mt -64.11 -62.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.71 -41.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -44.14 51.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . -61.67 -30.36 70.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.67 31.64 29.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -93.57 -20.99 19.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.476 ' OG1' HG22 ' A' ' 28' ' ' ILE . 17.4 m -43.69 -62.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.3 -61.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 m -45.43 -60.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.424 HD21 HG21 ' A' ' 79' ' ' ILE . 16.4 mt -62.75 -13.87 37.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.1 m-20 -91.54 21.24 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -127.91 143.38 51.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -55.48 139.08 44.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.51 -139.0 6.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 HG12 ' A' ' 83' ' ' ILE . 3.7 m -143.41 130.23 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.489 ' H ' HD11 ' A' ' 83' ' ' ILE . 63.6 m-85 -156.44 116.11 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.3 m -93.96 100.83 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.743 HG13 HG13 ' A' ' 79' ' ' ILE . 3.1 t -102.82 156.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.606 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 81.0 m-85 -129.23 110.76 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.666 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -104.01 116.68 61.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.3 Cg_endo -75.0 -163.18 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -101.04 -163.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -82.88 -50.65 8.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.35 -11.46 42.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -68.91 -48.07 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 31.1 m-85 -68.3 -45.31 73.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -51.01 -25.18 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -66.75 -37.76 85.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.767 HD11 HG11 ' A' ' 137' ' ' VAL . 35.1 mt -53.64 150.0 14.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.4 Cg_endo -74.94 162.04 37.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.92 7.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.496 ' O ' ' CD ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -97.91 -33.69 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.568 ' OE2' HD22 ' A' ' 56' ' ' LEU . 1.2 tt0 -94.8 -29.62 14.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -50.41 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.8 t -55.36 -45.34 76.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -44.29 -63.95 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.04 -50.31 66.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.97 -14.92 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -96.0 -87.83 1.78 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.68 128.64 37.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -81.77 -44.99 16.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.18 -57.98 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.65 -27.56 69.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.886 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.1 tt -67.03 -70.0 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.26 -35.22 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -55.27 -51.13 67.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 20.6 mm -63.48 -45.75 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.656 HD13 HG12 ' A' ' 28' ' ' ILE . 18.2 mt -58.58 -42.58 88.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -52.61 -49.71 64.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.789 ' O ' HD21 ' A' ' 103' ' ' LEU . 86.8 t80 -66.09 -17.2 64.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 13.8 m80 -89.9 -24.28 21.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.609 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.743 HG13 HG13 ' A' ' 45' ' ' VAL . 3.7 mt -101.52 144.06 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.22 174.79 16.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -111.37 38.88 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.7 pt-20 173.45 157.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.596 HD12 HG12 ' A' ' 130' ' ' VAL . 10.1 mm -89.58 130.52 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.685 ' C ' HD23 ' A' ' 84' ' ' LEU . 3.0 tt -136.63 119.71 16.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.654 ' N ' HD23 ' A' ' 84' ' ' LEU . 19.6 m -136.42 152.78 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.528 ' HB2' HD22 ' A' ' 107' ' ' LEU . 16.3 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.957 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 84' ' ' LEU . 99.5 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -88.49 117.59 27.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.652 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -107.53 124.94 50.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.652 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -77.93 128.28 33.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -99.45 178.85 4.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.0 mt -86.85 -33.21 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -18.85 57.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.337 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 113.83 -37.42 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.24 141.36 43.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.93 123.79 35.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.789 HD21 ' O ' ' A' ' 77' ' ' TYR . 3.0 mt -78.32 141.63 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -97.08 132.43 42.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 93' ' ' VAL . 3.0 t -139.04 122.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -133.24 167.93 19.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.595 HD13 HG22 ' A' ' 112' ' ' VAL . 21.3 tp -123.6 111.76 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -135.28 138.31 43.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 4.6 m120 58.94 18.72 6.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.4 t-20 75.81 16.47 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.5 t -111.18 141.47 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.595 HG22 HD13 ' A' ' 107' ' ' LEU . 87.8 t -97.97 141.43 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.7 OUTLIER -135.44 154.86 51.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 5.2 p -137.38 104.12 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.723 HD22 HD22 ' A' ' 138' ' ' LEU . 5.9 m-20 76.95 33.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.1 mttp 71.34 24.97 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.479 ' OE1' HD23 ' A' ' 138' ' ' LEU . 2.2 mt-10 -116.87 140.87 27.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -74.98 133.1 16.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 133' ' ' VAL . 71.0 t -87.8 156.26 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.608 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -86.99 -73.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.503 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.8 mt-10 -137.79 86.84 17.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.153 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 t70 74.13 55.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.711 ' CD1' HG23 ' A' ' 133' ' ' VAL . 11.1 mt -110.85 92.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -73.02 137.61 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.4 -166.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.434 ' OG1' HG22 ' A' ' 10' ' ' THR . 9.7 p -85.99 -2.85 58.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -178.89 44.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.239 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 166.82 -170.72 41.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.596 HG12 HD12 ' A' ' 83' ' ' ILE . 1.1 p -135.93 169.97 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.982 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.5 t -148.85 151.09 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.606 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 86.5 m-70 -138.28 96.78 3.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.625 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.711 HG23 ' CD1' ' A' ' 124' ' ' ILE . 86.5 t -56.75 124.55 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.1 pt -101.98 170.75 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.546 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 35.4 p -119.79 36.57 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.462 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.443 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER 172.82 150.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 56' ' ' LEU . 71.9 t -75.96 120.54 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.723 HD22 HD22 ' A' ' 115' ' ' ASN . 15.7 mt -73.53 160.53 31.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -137.11 150.32 68.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.445 1.76 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.86 HG22 HG22 ' A' ' 127' ' ' THR . 18.0 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.825 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.64 -56.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.697 ' SD ' HD13 ' A' ' 28' ' ' ILE . 10.5 mmm -49.22 -51.99 29.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -55.48 -50.7 69.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -45.25 -26.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 12' ' ' MET . 12.0 mt -84.81 -41.52 16.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.933 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.9 mttt -58.79 -50.03 75.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.33 -45.31 65.42 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.12 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.65 128.21 34.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -74.39 -45.93 43.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -39.76 -40.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -108.42 54.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.79 -61.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -22.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 10.6 tp -70.4 -58.14 4.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.933 HG11 ' HG2' ' A' ' 16' ' ' LYS . 86.8 t -43.18 -51.23 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.1 -42.86 9.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.922 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.92 -54.8 41.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.828 HD12 ' HA ' ' A' ' 25' ' ' VAL . 3.9 mt -53.47 -54.65 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -56.47 9.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -44.42 95.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.08 71.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.73 38.31 8.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.47 -26.96 12.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.582 HG22 ' ND2' ' A' ' 38' ' ' ASN . 16.5 m -40.56 -50.97 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.7 mm-40 -49.25 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -47.41 -53.94 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.54 -15.83 63.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.582 ' ND2' HG22 ' A' ' 34' ' ' THR . 3.9 m-20 -90.57 18.12 6.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -122.33 140.95 52.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.39 140.4 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 153.56 -134.68 4.48 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG1' HG12 ' A' ' 83' ' ' ILE . 7.3 m -151.5 130.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -156.02 116.86 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 80' ' ' GLY . 17.8 m -92.04 109.81 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 79' ' ' ILE . 3.6 t -112.24 157.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 92.1 m-85 -127.86 113.79 16.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.485 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.64 116.88 59.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.2 Cg_endo -75.05 177.47 8.56 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 23.0 p -81.2 -176.45 5.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -73.65 -49.24 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -14.79 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.42 -54.75 17.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 67.0 m-85 -64.57 -46.15 84.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -51.69 -25.09 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -70.82 -45.99 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 HG11 ' A' ' 137' ' ' VAL . 13.8 mt -44.12 138.22 3.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -75.01 174.75 12.26 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -13.17 21.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.94 -39.89 15.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.3 -16.94 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HG2' ' CD1' ' A' ' 65' ' ' LEU . 3.8 mtp180 -67.6 -77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.1 t -54.09 -21.92 9.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -46.41 85.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.3 mt -97.26 -46.74 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.414 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 25.7 mt -60.16 -28.7 68.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -87.59 -81.71 1.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.69 126.69 28.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.71 -47.56 30.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -40.77 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.21 -33.41 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.922 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -56.56 -70.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.59 -37.09 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -52.24 -48.06 65.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 25.8 mm -67.79 -51.25 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 79' ' ' ILE . 8.9 mt -52.07 -45.05 64.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -53.28 -53.94 43.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -66.7 -8.41 27.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.9 m80 -96.8 -20.34 18.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.609 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.43 145.69 11.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -113.14 162.06 12.48 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -104.44 44.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.452 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.9 pt-20 171.5 159.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.47 HG12 ' CG1' ' A' ' 42' ' ' VAL . 3.3 mm -89.74 131.98 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.64 HD11 ' CG1' ' A' ' 93' ' ' VAL . 4.4 tt -134.31 119.64 18.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -127.38 153.83 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 84' ' ' LEU . 4.5 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.1 mtm-85 -114.89 107.36 15.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 96' ' ' LYS . 2.0 tt -88.49 120.6 30.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.516 ' N ' HD23 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -78.76 109.65 13.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 t -84.59 155.71 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 98' ' ' LEU . 5.1 mp -62.44 -39.42 93.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -35.91 26.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.84 -46.61 1.07 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.03 130.0 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.411 ' CG ' ' HG3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -75.3 133.75 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.34 134.61 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.74 130.1 36.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -142.96 125.02 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 p -140.7 167.94 20.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.478 HD13 HG22 ' A' ' 112' ' ' VAL . 24.1 tp -121.41 112.88 19.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -136.61 136.67 39.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.0 m120 59.39 19.22 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 3.3 t30 75.01 17.3 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.21 139.53 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.478 HG22 HD13 ' A' ' 107' ' ' LEU . 71.4 t -100.01 146.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.82 154.95 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.407 HG22 ' ND2' ' A' ' 115' ' ' ASN . 4.4 p -136.59 130.72 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.528 HD22 HD22 ' A' ' 138' ' ' LEU . 36.3 m-20 52.8 24.48 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.48 41.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.562 ' OE2' HD23 ' A' ' 138' ' ' LEU . 2.5 mt-10 -133.52 146.81 62.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.09 19.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 133' ' ' VAL . 73.1 t -94.54 151.13 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.683 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -82.6 -68.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.512 ' O ' HD11 ' A' ' 124' ' ' ILE . 2.0 mt-10 -144.58 87.67 7.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.498 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.5 Cg_endo -74.97 179.5 6.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.401 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 6.6 t0 74.11 58.94 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.348 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.72 ' CD1' HG23 ' A' ' 133' ' ' VAL . 11.1 mt -116.36 93.05 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.93 130.46 39.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.403 ' HB1' ' N ' ' A' ' 11' ' ' VAL . . . -104.18 -166.57 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.86 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -87.11 -1.99 58.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -174.62 45.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 161.22 -163.62 34.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 83' ' ' ILE . 1.4 p -138.18 170.26 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.825 ' CG2' HG23 ' A' ' 11' ' ' VAL . 19.6 t -148.35 153.46 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 81.6 m-70 -141.16 101.82 4.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.72 HG23 ' CD1' ' A' ' 124' ' ' ILE . 93.9 t -59.99 127.51 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -106.08 170.89 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.455 HG22 ' HB2' ' A' ' 120' ' ' ALA . 68.9 p -118.16 36.03 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.589 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.9 OUTLIER 174.67 154.17 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.586 HG11 HD11 ' A' ' 56' ' ' LEU . 88.5 t -82.02 109.58 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 19.2 mt -60.3 161.58 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -140.07 155.75 70.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 1.021 HG22 ' OG1' ' A' ' 127' ' ' THR . 26.1 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.9 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -36.96 -55.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.701 ' SD ' HD13 ' A' ' 28' ' ' ILE . 14.5 mmm -54.93 -62.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 16' ' ' LYS . 33.4 t0 -47.27 -50.1 22.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.86 -30.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.567 HD22 ' CB ' ' A' ' 47' ' ' ALA . 11.8 mt -81.66 -42.67 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.824 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.4 mttt -58.13 -48.27 80.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.55 -52.09 47.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.16 125.52 28.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.95 -43.02 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.71 -37.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -113.98 55.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 23' ' ' MET . 4.6 p -89.0 -62.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.45 ' N ' ' OG ' ' A' ' 22' ' ' SER . 78.8 mtp -47.55 -25.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.591 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.9 tp -68.44 -54.24 18.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.824 HG11 ' HG2' ' A' ' 16' ' ' LYS . 70.7 t -44.69 -58.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.72 -44.13 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.767 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -57.23 -48.7 78.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 25' ' ' VAL . 4.8 mt -61.83 -64.86 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.08 -52.33 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -46.99 87.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -60.54 -33.16 72.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.74 41.31 7.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.491 ' HB2' HG23 ' A' ' 28' ' ' ILE . 9.0 mt -103.96 -21.63 13.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' ASN . 5.0 m -40.48 -65.39 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.47 -59.65 0.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -45.94 -60.9 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.51 -11.96 39.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.2 OUTLIER -91.28 21.21 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -129.41 139.09 51.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.3 148.08 12.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.61 -130.53 3.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 83' ' ' ILE . 5.5 m -148.19 130.22 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.68 ' H ' HD11 ' A' ' 83' ' ' ILE . 64.3 m-85 -156.46 115.65 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 m -93.71 102.73 14.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 79' ' ' ILE . 3.4 t -107.81 151.63 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 89.6 m-85 -124.42 114.01 18.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.567 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -106.35 117.1 58.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.488 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.09 -175.52 2.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 52' ' ' ALA . 45.0 p -76.85 -169.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.342 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -82.97 -47.37 11.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.19 -15.41 62.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB1' ' HA ' ' A' ' 136' ' ' ASN . . . -57.28 -33.0 67.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -81.03 -44.27 18.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -53.93 -24.61 16.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.44 -38.5 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.537 HD11 HG21 ' A' ' 137' ' ' VAL . 87.9 mt -51.65 140.45 27.53 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.4 31.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.45 8.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.802 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.52 -40.95 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.61 -46.94 6.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -60.21 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.3 t -51.18 -63.75 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -37.38 -59.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.247 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mt -44.46 -59.63 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.31 -25.74 67.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -78.35 -92.54 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.79 136.5 58.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.64 -46.28 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -59.21 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.48 -36.63 74.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.767 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -58.0 -70.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.524 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -47.19 -34.15 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -54.44 -48.98 71.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.1 mm -66.58 -49.26 76.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 78' ' ' HIS . 12.9 mt -54.24 -50.9 66.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -45.7 -51.22 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.885 ' O ' HD11 ' A' ' 103' ' ' LEU . 88.3 t80 -64.34 -24.06 67.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 11.1 m80 -81.8 -21.69 37.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.517 HG13 HG13 ' A' ' 45' ' ' VAL . 4.2 mt -101.3 142.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.59 170.05 13.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -106.35 41.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 173.04 158.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.68 HD11 ' H ' ' A' ' 43' ' ' TYR . 16.6 mm -93.54 123.14 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 84' ' ' LEU . 9.0 tt -130.14 119.69 23.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' CG1' HG21 ' A' ' 130' ' ' VAL . 18.6 m -131.15 165.86 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -108.92 106.75 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -94.9 115.29 27.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.57 ' N ' HD23 ' A' ' 95' ' ' LEU . 33.5 tttt -71.79 126.01 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 p -91.81 146.59 23.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 98' ' ' LEU . 6.5 mp -56.1 -31.25 63.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -62.93 -27.3 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.71 -47.15 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.34 141.01 57.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 126.17 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.885 HD11 ' O ' ' A' ' 77' ' ' TYR . 16.8 mt -81.81 152.77 26.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -106.16 130.15 54.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -141.54 128.17 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 p -140.75 171.99 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.1 tp -128.51 106.08 8.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.25 141.84 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 33.0 t30 56.07 19.07 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 12.3 t30 75.72 14.31 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.3 t -107.13 150.15 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.9 t -111.83 135.88 49.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.24 148.23 52.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.88 105.91 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.576 HD22 HD22 ' A' ' 138' ' ' LEU . 9.3 m-20 73.88 29.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.83 27.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -120.06 143.85 36.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 133.08 16.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 133' ' ' VAL . 79.2 t -89.51 151.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.657 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -79.42 -67.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.425 ' O ' HD11 ' A' ' 124' ' ' ILE . 3.0 mt-10 -148.46 86.71 5.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.528 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.95 175.64 10.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 3.3 t70 77.69 59.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.806 HD11 HG23 ' A' ' 133' ' ' VAL . 12.3 mt -115.53 92.22 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.6 mmm -65.43 141.6 58.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -122.84 175.01 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 1.021 ' OG1' HG22 ' A' ' 10' ' ' THR . 34.1 p -59.59 -29.75 68.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.65 43.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 176.96 -172.57 45.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.577 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -135.13 169.75 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.9 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.2 t -149.09 147.86 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 75.5 m-70 -135.66 97.98 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.554 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.806 HG23 HD11 ' A' ' 124' ' ' ILE . 61.4 t -57.18 126.04 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.77 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.7 pt -101.74 166.95 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.8 p -83.76 -29.11 27.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.77 ' O ' HD12 ' A' ' 134' ' ' ILE . 5.5 m120 -149.75 170.61 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 56' ' ' LEU . 41.2 t -73.05 130.9 35.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.576 HD22 HD22 ' A' ' 115' ' ' ASN . 23.2 mt -74.41 172.16 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -144.84 147.81 36.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.765 HG22 HG22 ' A' ' 127' ' ' THR . 5.8 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.786 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.8 -56.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.483 ' HA ' HD12 ' A' ' 15' ' ' LEU . 19.2 mmm -52.89 -47.07 68.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.92 -45.66 89.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.96 -27.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 12' ' ' MET . 13.0 mt -84.11 -43.47 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.719 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.0 mttt -61.33 -42.21 98.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.62 -47.96 88.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -75.03 128.33 35.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -76.32 -36.29 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.8 -33.31 7.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -115.24 56.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 p -88.76 -66.39 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -33.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.4 tp -60.54 -60.42 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.719 HG11 ' HG2' ' A' ' 16' ' ' LYS . 83.9 t -41.0 -53.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.74 -51.74 5.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.981 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -52.58 -44.8 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.72 HG12 HD13 ' A' ' 75' ' ' LEU . 26.0 mt -68.38 -50.91 52.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -40.66 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -43.08 27.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -61.44 -32.86 72.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.69 44.37 7.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mt -108.45 -19.83 13.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' ASN . 18.4 m -47.75 -54.72 11.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -57.71 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -49.41 -53.8 20.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 13.2 mt -68.51 -12.24 60.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -93.91 24.83 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -124.41 140.75 52.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -55.67 114.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.93 -138.68 4.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.7 m -148.76 131.8 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -155.97 117.53 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 80' ' ' GLY . 7.5 m -89.61 110.83 21.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.616 HG13 HG13 ' A' ' 79' ' ' ILE . 5.2 t -113.39 157.83 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 87.9 m-85 -127.35 115.28 18.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.469 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.36 116.75 57.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.522 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.03 -174.9 2.11 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.0 p -95.08 -176.48 3.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.95 -42.17 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.63 -13.88 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -74.44 -62.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.522 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 57.7 m-85 -57.93 -39.78 78.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -25.8 64.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -70.21 -42.19 72.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.641 HD11 HG11 ' A' ' 137' ' ' VAL . 17.0 mt -48.0 140.23 9.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.03 173.92 13.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -6.54 18.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.7 -49.63 5.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -18.41 62.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.452 ' HG2' ' CD1' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -67.25 -73.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.3 t -55.34 -27.52 47.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -50.75 66.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.7 mt -90.2 -47.34 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.452 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 34.0 mt -60.18 -15.48 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -91.65 -93.32 1.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.19 132.14 52.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.92 -39.6 55.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -45.25 -56.91 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -40.39 95.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.981 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -52.96 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.401 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -48.1 -41.82 27.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -48.57 -50.41 32.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.443 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.7 mm -63.43 -49.25 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.72 HD13 HG12 ' A' ' 28' ' ' ILE . 12.3 mt -53.77 -45.63 70.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -51.57 -54.35 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.471 ' O ' HD11 ' A' ' 103' ' ' LEU . 71.8 t80 -64.57 -13.08 51.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -92.84 -21.4 19.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.7 mt -101.92 145.9 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -112.82 178.64 18.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -118.79 43.6 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 0.728 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 174.22 159.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.707 HG23 ' HB ' ' A' ' 130' ' ' VAL . 5.5 mm -93.03 114.46 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 tt -119.66 120.18 35.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 28.4 m -128.54 154.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.638 ' HB2' HD22 ' A' ' 107' ' ' LEU . 22.5 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -109.21 105.78 15.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.565 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -89.2 115.33 26.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.565 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -69.94 124.13 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.6 t -97.56 178.65 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.975 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.05 -48.52 9.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -44.75 -32.22 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.92 -46.67 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.91 137.22 57.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.37 134.35 36.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.471 HD11 ' O ' ' A' ' 77' ' ' TYR . 61.9 mt -88.45 139.52 30.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -99.36 130.73 45.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 t -141.12 125.56 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 p -133.12 177.58 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.955 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 86' ' ' SER . 29.3 tp -145.19 107.96 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -134.44 144.97 48.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.423 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 92.4 m-20 56.64 19.32 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 0.7 OUTLIER 77.16 13.26 2.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 t -107.53 138.15 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.9 t -100.82 143.29 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.85 151.51 50.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.438 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 7.0 p -138.45 105.61 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 4.0 m-20 74.61 28.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 74.8 27.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.68 144.15 38.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.33 17.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 133' ' ' VAL . 68.4 t -90.88 149.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.727 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.33 -66.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.494 ' O ' HD11 ' A' ' 124' ' ' ILE . 5.3 mm-40 -146.66 88.09 6.17 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.511 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -74.99 179.79 5.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.4 t0 71.69 48.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.813 ' CD1' HG23 ' A' ' 133' ' ' VAL . 20.7 mt -101.25 93.07 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.32 127.12 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.08 -170.33 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.765 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -93.72 3.82 54.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 9.8 p-10 -173.57 51.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.96 -161.29 27.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.707 ' HB ' HG23 ' A' ' 83' ' ' ILE . 6.4 p -137.8 169.84 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.786 ' CG2' HG23 ' A' ' 11' ' ' VAL . 40.6 t -146.82 157.78 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.58 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 70.5 m-70 -145.05 99.85 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.813 HG23 ' CD1' ' A' ' 124' ' ' ILE . 94.3 t -58.31 131.78 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -109.58 170.99 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 45.0 p -118.66 30.38 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.429 ' O ' HD12 ' A' ' 134' ' ' ILE . 3.1 m-80 179.73 153.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.641 HG11 HD11 ' A' ' 56' ' ' LEU . 90.7 t -79.44 110.41 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 12.3 mt -62.87 163.85 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -142.46 154.38 63.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.443 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.848 HG22 ' OG1' ' A' ' 127' ' ' THR . 18.9 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.793 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.4 OUTLIER -41.88 -52.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 28' ' ' ILE . 7.7 mmm -63.86 -57.35 10.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' LYS . 45.6 m-20 -47.6 -47.17 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -43.54 -36.67 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -74.41 -41.75 60.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.6 mttt -61.45 -44.15 97.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.22 -60.43 7.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -69.32 128.32 36.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.243 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' ARG . 5.5 m120 -72.82 -38.69 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' ASN . 5.8 mtp180 -38.09 -41.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.7 m-85 -111.42 48.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 p -85.12 -31.13 23.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -36.89 63.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.1 tp -59.45 -51.87 68.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.559 HG11 ' HG2' ' A' ' 16' ' ' LYS . 79.5 t -45.35 -52.5 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.67 -44.42 6.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 1.053 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -62.69 -44.68 95.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.501 HG21 ' SD ' ' A' ' 12' ' ' MET . 48.4 mt -65.1 -47.8 86.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.18 -47.33 81.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -43.93 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.81 -29.57 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.03 37.82 17.51 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mt -100.9 -25.86 13.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.805 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.424 ' OG1' HG22 ' A' ' 28' ' ' ILE . 2.5 m -46.92 -41.13 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.12 -53.93 52.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -53.28 -44.68 68.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.443 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 8.6 mt -77.73 -6.04 52.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -81.6 -33.78 31.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -80.85 138.8 36.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -47.13 162.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.521 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 139.54 -134.97 6.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 41' ' ' GLY . 2.8 m -155.01 130.67 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 0.725 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -156.7 116.14 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 m -87.44 113.72 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.453 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 79' ' ' ILE . 3.5 t -116.9 156.52 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 97.6 m-85 -129.29 115.11 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.48 116.92 58.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.519 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -74.95 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.497 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.0 p -81.29 176.7 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.77 -41.8 74.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.56 -13.35 60.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -70.31 -57.18 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 63.8 m-85 -63.1 -32.63 74.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -64.45 -27.87 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.09 -39.66 75.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD11 HG11 ' A' ' 137' ' ' VAL . 12.3 mt -48.49 139.72 10.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.97 167.53 26.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -1.84 11.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.31 -39.51 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 6.4 tt0 -93.1 -12.01 31.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -75.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 2.0 t -54.34 -20.01 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.061 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -55.35 35.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.2 mt -84.01 -45.63 12.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.47 -17.28 53.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -99.32 -81.14 1.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.73 136.79 58.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.3 -48.34 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -69.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -50.28 -33.37 19.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.053 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -58.45 -70.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.2 -37.46 54.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' OD1' ' NE2' ' A' ' 99' ' ' GLN . 4.8 t-20 -50.56 -46.76 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.93 -53.82 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 6.6 mt -49.05 -48.72 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -51.35 -45.45 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.645 ' O ' HD11 ' A' ' 103' ' ' LEU . 74.7 t80 -69.81 -18.91 63.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 14.1 m80 -89.18 -20.13 24.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.452 HG12 HG22 ' A' ' 45' ' ' VAL . 7.5 mt -101.77 144.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.93 174.53 15.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -110.41 39.1 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 172.42 164.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 83' ' ' ILE . 3.7 mm -89.69 138.49 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.407 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 4.0 tt -145.19 119.87 9.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.711 HG12 ' CE1' ' A' ' 132' ' ' HIS . 22.0 m -137.88 -179.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.62 ' HB2' HD22 ' A' ' 107' ' ' LEU . 78.5 p . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -114.53 111.27 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -97.3 123.0 40.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.673 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -72.8 132.86 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.8 t -103.69 149.46 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.02 -31.31 69.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.448 ' NE2' ' OD1' ' A' ' 73' ' ' ASN . 1.5 tt0 -65.1 -28.25 69.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 124.82 -45.86 1.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 97' ' ' SER . 2.4 m-20 -66.65 136.89 56.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 132.84 34.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.645 HD11 ' O ' ' A' ' 77' ' ' TYR . 22.0 mt -89.04 142.77 27.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -97.18 130.18 44.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.44 124.81 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 p -136.01 170.84 15.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.62 HD22 ' HB2' ' A' ' 86' ' ' SER . 46.0 tp -129.31 110.59 12.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -137.3 139.42 40.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 57.2 19.13 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 74.91 20.44 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 t -112.09 141.5 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.25 136.93 35.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.61 148.08 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.575 HG13 HD21 ' A' ' 138' ' ' LEU . 7.1 p -132.14 106.31 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.699 HD22 HD22 ' A' ' 138' ' ' LEU . 13.3 m-20 73.71 31.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.77 28.91 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -121.61 143.4 37.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.66 18.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.76 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 133' ' ' VAL . 71.5 t -90.09 153.26 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.612 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -80.41 -71.63 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -142.95 86.58 9.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 132' ' ' HIS . 18.2 Cg_endo -74.99 177.82 8.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.771 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.457 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 4.8 t70 77.02 57.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.778 HD11 HG23 ' A' ' 133' ' ' VAL . 12.8 mt -112.68 92.14 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.09 133.52 49.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.454 ' HB1' ' N ' ' A' ' 11' ' ' VAL . . . -115.94 -170.35 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.848 ' OG1' HG22 ' A' ' 10' ' ' THR . 71.4 p -79.88 -28.03 39.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.07 54.08 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.35 -163.97 32.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 131' ' ' VAL . 2.0 p -142.87 169.86 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.793 ' CG2' HG23 ' A' ' 11' ' ' VAL . 26.2 t -144.83 152.58 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.711 ' CE1' HG12 ' A' ' 85' ' ' VAL . 90.8 m-70 -139.44 98.26 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.584 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.778 HG23 HD11 ' A' ' 124' ' ' ILE . 58.4 t -57.32 129.52 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.0 OUTLIER -106.1 171.32 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 120' ' ' ALA . 2.0 p -113.25 5.0 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.529 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -151.71 164.45 36.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.42 HG11 HD11 ' A' ' 56' ' ' LEU . 77.4 t -92.21 100.53 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.699 HD22 HD22 ' A' ' 115' ' ' ASN . 31.6 mt -48.66 160.49 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -141.07 152.82 66.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.909 HG22 ' OG1' ' A' ' 127' ' ' THR . 4.9 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.669 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.1 -56.15 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.711 ' SD ' HD13 ' A' ' 28' ' ' ILE . 19.5 mmm -61.79 -53.55 54.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.414 ' HB2' ' N ' ' A' ' 10' ' ' THR . 17.1 m-20 -49.31 -44.43 44.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.405 1.066 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -51.22 -36.98 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 47' ' ' ALA . 12.0 mt -74.23 -38.63 63.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.86 ' HG2' HG11 ' A' ' 25' ' ' VAL . 16.3 mttt -63.68 -40.72 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.56 -52.69 51.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.23 132.15 45.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -79.81 -34.23 39.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.96 -38.52 51.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.541 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.6 m-85 -107.5 43.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.4 p -77.79 -60.29 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -39.08 11.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.699 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.8 tp -57.69 -54.76 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.86 HG11 ' HG2' ' A' ' 16' ' ' LYS . 71.3 t -44.81 -58.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.17 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.762 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -64.44 -51.01 65.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 25' ' ' VAL . 4.0 mt -58.63 -49.97 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -47.85 72.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -47.59 79.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.14 73.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.34 35.62 8.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.3 -19.77 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.55 ' N ' HG22 ' A' ' 28' ' ' ILE . 1.1 m -51.94 -26.25 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.86 -53.99 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -55.09 -31.56 61.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.48 -0.3 57.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -91.04 -26.0 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -86.48 142.76 28.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -56.22 159.81 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.74 -131.58 4.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 83' ' ' ILE . 2.9 m -150.76 130.1 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.513 ' H ' HD11 ' A' ' 83' ' ' ILE . 61.8 m-85 -156.86 116.39 3.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -93.54 102.26 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.466 HG13 HG13 ' A' ' 79' ' ' ILE . 3.0 t -104.55 156.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 84.8 m-85 -130.32 113.45 14.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.489 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -105.0 116.8 60.1 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.01 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.544 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.2 p -97.52 176.57 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.58 -44.1 83.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -17.98 63.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -67.24 -61.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.562 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 66.3 m-85 -59.33 -33.53 71.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -63.41 -26.72 68.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.38 -43.93 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.679 HD11 HG11 ' A' ' 137' ' ' VAL . 12.2 mt -43.84 143.5 1.69 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.05 163.2 35.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 0.32 9.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.02 -33.2 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' OE2' HD22 ' A' ' 56' ' ' LEU . 3.7 tt0 -95.83 -16.7 21.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -74.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' GLY . 5.2 t -52.03 -21.57 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -63.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.7 mt -71.19 -47.9 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.08 -16.54 45.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -98.62 -84.61 1.79 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.16 129.35 39.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.87 -47.25 26.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -55.48 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.01 -46.0 91.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.356 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.762 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -49.62 -65.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -50.97 -49.42 60.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' ALA . 1.5 t-20 -40.09 -46.37 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.431 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 25.5 mm -69.76 -58.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.756 ' O ' HD12 ' A' ' 79' ' ' ILE . 9.6 mt -44.46 -48.05 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -52.17 -53.09 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.573 ' O ' HD11 ' A' ' 103' ' ' LEU . 74.5 t80 -64.38 -11.43 32.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 7.0 m80 -93.75 -23.01 18.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 75' ' ' LEU . 2.6 mt -101.6 144.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.39 165.98 12.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -100.24 36.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.421 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.4 pt-20 177.13 158.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.515 HG12 HG12 ' A' ' 42' ' ' VAL . 13.1 mm -90.34 132.42 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.435 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 5.1 tt -132.9 119.37 20.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 m -127.87 145.18 35.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.766 ' HB2' HD22 ' A' ' 107' ' ' LEU . 89.6 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -120.18 110.11 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -92.94 117.53 30.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.594 ' N ' HD23 ' A' ' 95' ' ' LEU . 8.5 ttpt -73.05 123.1 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -94.05 177.65 5.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.47 -44.96 13.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -51.08 -29.89 14.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.43 -45.93 1.12 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.5 133.39 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 135.36 33.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.573 HD11 ' O ' ' A' ' 77' ' ' TYR . 17.0 mt -90.16 146.75 24.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -103.18 130.01 50.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.8 123.65 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.14 176.77 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.024 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.766 HD22 ' HB2' ' A' ' 86' ' ' SER . 15.5 tp -131.44 107.77 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -136.79 144.37 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.4 t30 55.71 19.22 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.2 16.28 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 107' ' ' LEU . 8.8 t -108.53 158.83 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.404 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 59.8 t -120.22 144.3 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.4 151.17 43.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.2 p -138.83 103.52 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 2.8 m-20 76.37 33.26 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 2.0 mtmt 69.06 29.88 4.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 118' ' ' PRO . 1.2 mt-10 -122.76 142.27 37.34 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -74.99 135.61 19.33 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 133' ' ' VAL . 73.0 t -90.53 146.83 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.808 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -76.27 -64.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.48 ' O ' HD11 ' A' ' 124' ' ' ILE . 0.8 OUTLIER -150.34 88.37 4.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.483 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.2 Cg_endo -75.02 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 3.2 t0 76.64 60.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.676 HD12 HG12 ' A' ' 131' ' ' VAL . 10.8 mt -116.22 92.74 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.28 137.63 54.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.83 -166.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.909 ' OG1' HG22 ' A' ' 10' ' ' THR . 74.6 p -81.32 -23.39 37.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.61 43.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.17 -168.36 41.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.486 HG12 HD12 ' A' ' 83' ' ' ILE . 1.3 p -137.37 170.52 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 124' ' ' ILE . 23.7 t -147.22 150.17 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.591 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 83.9 m-70 -138.71 97.13 3.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.808 HG12 ' HB3' ' A' ' 120' ' ' ALA . 76.4 t -55.45 134.44 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -111.3 171.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 73.3 p -120.11 32.54 5.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 176.36 144.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.679 HG11 HD11 ' A' ' 56' ' ' LEU . 82.4 t -71.47 116.82 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 26.7 mt -68.51 155.17 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -135.95 151.53 74.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.431 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.963 HG22 ' OG1' ' A' ' 127' ' ' THR . 5.2 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.712 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.37 -60.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.649 ' SD ' HG21 ' A' ' 28' ' ' ILE . 11.9 mmm -53.39 -43.53 67.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -62.27 -48.43 79.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.8 t -45.94 -27.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 47' ' ' ALA . 7.1 mt -86.17 -41.94 14.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.764 ' HG2' HG11 ' A' ' 25' ' ' VAL . 13.3 mttt -63.56 -49.43 73.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.0 -56.24 12.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -71.79 131.75 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -75.06 -37.38 61.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -42.02 -40.42 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.0 m-85 -109.71 50.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 p -80.94 -56.13 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.68 -47.47 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.576 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.4 tp -47.98 -53.38 16.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.764 HG11 ' HG2' ' A' ' 16' ' ' LYS . 76.1 t -46.59 -55.78 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.19 -41.29 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.86 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -61.94 -49.41 76.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.649 HG21 ' SD ' ' A' ' 12' ' ' MET . 7.1 mt -64.86 -42.72 95.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -43.56 94.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -45.08 64.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -59.97 -33.0 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.12 39.45 9.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mt -101.47 -21.31 14.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' ASN . 8.6 m -44.44 -57.54 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -41.84 -61.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -46.69 -58.46 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 21.3 mt -63.97 -12.52 38.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.4 m-20 -91.36 17.78 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -127.64 141.69 51.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.65 152.87 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.701 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 143.78 -127.58 3.07 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.701 HG13 ' O ' ' A' ' 41' ' ' GLY . 1.3 m -160.71 130.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -156.49 116.92 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 m -91.02 106.13 18.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 79' ' ' ILE . 3.2 t -109.14 157.7 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 96.6 m-85 -130.16 113.04 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.643 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -104.98 117.2 59.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.54 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -75.0 -171.33 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.4 p -91.83 -173.14 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -76.71 -44.34 33.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -20.26 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.247 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -60.79 -52.8 63.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.54 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 55.9 m-85 -67.28 -29.19 68.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -65.48 -27.7 68.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.98 75.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 HG11 ' A' ' 137' ' ' VAL . 10.7 mt -47.72 140.1 8.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.5 Cg_endo -74.96 166.76 28.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.07 9.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.77 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -93.93 -42.63 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.66 -15.91 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -64.19 -76.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' GLY . 8.5 t -49.28 -23.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.51 -65.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 71' ' ' LEU . 63.5 mt -71.09 -46.99 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.35 -15.21 33.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -100.48 -91.15 2.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.3 133.61 56.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.238 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.48 -44.86 27.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -41.44 -68.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.95 -29.44 42.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.86 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -63.83 -70.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.422 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -48.55 -39.11 22.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -47.46 -54.86 10.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 74' ' ' ILE . 33.4 mm -61.01 -53.69 45.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.723 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.8 mt -48.7 -45.44 39.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -52.56 -54.53 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.671 ' O ' HD11 ' A' ' 103' ' ' LEU . 49.4 t80 -64.86 -11.97 43.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -92.35 -22.02 19.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.5 mt -101.37 149.96 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.43 -175.19 19.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -117.41 9.64 13.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 0.727 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' HG2' HD21 ' A' ' 95' ' ' LEU . 3.5 pt-20 -158.46 161.09 37.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.532 HG23 ' HB ' ' A' ' 130' ' ' VAL . 15.3 mm -91.9 119.62 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.743 ' C ' HD23 ' A' ' 84' ' ' LEU . 2.7 tt -122.18 120.14 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.466 ' N ' HD23 ' A' ' 84' ' ' LEU . 33.0 m -134.37 152.78 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.589 ' OG ' HD22 ' A' ' 107' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.7 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -97.73 111.27 23.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -97.39 116.71 30.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.529 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.12 115.51 9.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 98' ' ' LEU . 4.8 t -90.38 176.77 6.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.438 ' N ' ' OG ' ' A' ' 97' ' ' SER . 5.2 mt -86.53 -47.7 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -38.8 -32.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.1 -43.87 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.62 130.68 41.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.41 128.08 35.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.671 HD11 ' O ' ' A' ' 77' ' ' TYR . 14.2 mt -77.25 160.73 28.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.83 130.31 53.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -144.82 125.05 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.87 165.45 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 111' ' ' VAL . 35.1 tp -123.48 114.07 19.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -136.32 148.39 47.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.6 m-20 56.59 18.84 3.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.358 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 45.2 t30 76.19 7.61 3.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.883 ' O ' HD12 ' A' ' 107' ' ' LEU . 6.6 t -106.26 150.78 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.434 HG22 HD13 ' A' ' 107' ' ' LEU . 90.0 t -95.04 135.07 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.37 149.99 51.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' A' ' 117' ' ' GLU . 6.6 p -135.1 128.05 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.474 HD22 HD22 ' A' ' 138' ' ' LEU . 6.3 m-20 49.25 22.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 115' ' ' ASN . 1.6 mtmt 81.94 46.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.507 ' HB3' ' O ' ' A' ' 114' ' ' VAL . 1.5 tt0 -137.81 137.98 22.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.447 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 18.1 Cg_endo -75.08 131.21 13.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 133' ' ' VAL . 99.3 t -87.23 149.12 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.788 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.13 -61.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.551 ' O ' HD11 ' A' ' 124' ' ' ILE . 27.5 mt-10 -147.61 88.33 5.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.0 3.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 62.11 64.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.727 HD12 HG12 ' A' ' 131' ' ' VAL . 18.1 mt -112.48 92.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.47 132.44 53.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -116.98 -166.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.963 ' OG1' HG22 ' A' ' 10' ' ' THR . 60.2 p -83.44 -32.17 26.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.48 45.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.58 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 170.08 -168.76 41.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.42 1.075 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.532 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -134.79 170.12 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.727 HG12 HD12 ' A' ' 124' ' ' ILE . 24.4 t -147.62 147.28 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 75.8 m-70 -136.93 96.7 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.788 HG12 ' HB3' ' A' ' 120' ' ' ALA . 95.9 t -56.88 127.81 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.1 pt -105.07 170.91 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 120' ' ' ALA . 76.1 p -119.76 32.35 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.423 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.421 ' N ' ' OE2' ' A' ' 117' ' ' GLU . 0.7 OUTLIER 175.9 148.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.586 HG11 HD11 ' A' ' 56' ' ' LEU . 79.3 t -73.13 118.61 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 12.0 mt -70.71 158.15 36.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -139.43 152.1 68.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.673 HG22 HG22 ' A' ' 127' ' ' THR . 10.6 p . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.762 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.92 -55.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.84 ' SD ' HD13 ' A' ' 28' ' ' ILE . 20.8 mmm -61.96 -44.8 95.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 10' ' ' THR . 4.5 m-20 -58.48 -39.44 79.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -56.13 -28.85 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.672 HD22 ' CB ' ' A' ' 47' ' ' ALA . 7.4 mt -85.35 -40.23 16.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.771 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.8 mttt -61.15 -44.92 96.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.04 -52.62 52.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.33 123.53 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -68.63 -44.34 74.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.74 -42.27 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.1 m-85 -105.37 51.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.6 p -87.54 -66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -27.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 HD22 ' HD2' ' A' ' 48' ' ' PRO . 9.0 tp -68.35 -57.09 6.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.771 HG11 ' HG2' ' A' ' 16' ' ' LYS . 98.2 t -40.09 -55.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.34 -56.1 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.962 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -47.0 -47.17 22.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.84 HD13 ' SD ' ' A' ' 12' ' ' MET . 45.0 mt -66.06 -59.27 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -45.02 -39.0 5.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -44.72 21.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -59.8 -29.9 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.0 43.37 9.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -107.06 -21.61 12.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' ASN . 6.3 m -45.77 -55.98 5.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -43.29 -60.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -47.64 -55.86 8.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.67 -12.82 56.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -93.2 21.03 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -119.44 142.59 48.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.88 116.74 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.351 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.79 -135.24 3.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.15 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.8 m -147.63 131.71 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -156.01 116.98 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.9 m -91.42 105.7 17.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.665 HG13 HG13 ' A' ' 79' ' ' ILE . 4.0 t -108.69 157.52 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 87.0 m-85 -127.04 114.04 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.672 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -107.58 116.92 56.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.4 Cg_endo -74.99 -178.58 4.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 52' ' ' ALA . 2.8 p -78.03 -171.82 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -77.43 -56.21 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.95 -20.85 59.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -52.51 -38.94 60.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -78.81 -47.26 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -49.14 -26.79 3.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.16 -46.01 65.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.564 HD11 HG21 ' A' ' 137' ' ' VAL . 86.8 mt -45.71 141.3 4.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.02 165.2 31.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.56 8.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -94.76 -40.09 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.481 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.5 tp10 -95.51 -46.01 6.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -59.41 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -53.16 -53.93 43.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -43.38 -52.78 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.0 -60.68 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.71 -17.23 54.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -82.22 -94.48 0.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -60.73 130.1 44.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.91 -42.88 23.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -52.7 41.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.01 -37.75 88.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.962 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -56.11 -68.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.557 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -47.28 -37.24 10.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.69 -50.2 60.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.434 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 21.9 mm -64.67 -50.92 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 79' ' ' ILE . 20.3 mt -52.46 -42.91 64.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -52.26 -54.63 28.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.412 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 63.5 t80 -64.9 -9.42 20.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 7.0 m80 -96.24 -18.58 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.4 mt -101.82 145.72 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.415 ' C ' ' CD1' ' A' ' 98' ' ' LEU . . . -113.02 166.81 12.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.483 ' CG ' ' CD1' ' A' ' 98' ' ' LEU . 7.3 m-20 -108.13 37.31 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.451 ' HG2' HD21 ' A' ' 95' ' ' LEU . 3.3 pt-20 177.64 161.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.528 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.0 mm -90.53 130.15 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.502 HD11 ' CG1' ' A' ' 93' ' ' VAL . 6.6 tt -134.13 119.82 19.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.457 HG12 HG21 ' A' ' 130' ' ' VAL . 29.0 m -128.43 156.7 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.502 ' CG1' HD11 ' A' ' 84' ' ' LEU . 50.8 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -90.42 112.08 23.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -95.1 117.46 30.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.559 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.9 OUTLIER -71.76 126.24 29.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 p -93.78 139.85 30.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.483 ' CD1' ' CG ' ' A' ' 81' ' ' ASP . 7.1 mp -52.39 -25.2 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -67.84 -18.82 64.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.81 -44.3 1.46 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -69.08 149.24 48.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.13 115.61 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 95' ' ' LEU . 3.5 mt -75.83 143.16 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.94 130.73 42.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.0 t -141.71 129.03 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.38 178.55 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 25.6 tp -129.21 110.25 11.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -137.39 140.28 41.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 m120 56.05 19.34 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 72.19 20.95 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.0 t -117.36 139.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.5 t -99.5 148.02 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.15 150.29 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -136.12 104.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.48 HD22 HD22 ' A' ' 138' ' ' LEU . 3.4 m-20 76.65 31.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.06 25.35 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.547 ' OE1' HD23 ' A' ' 138' ' ' LEU . 1.9 mt-10 -117.31 142.52 30.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.14 16.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 133' ' ' VAL . 66.9 t -91.04 158.95 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.512 ' HB2' ' CG2' ' A' ' 135' ' ' THR . . . -89.92 -77.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.547 ' O ' HD11 ' A' ' 124' ' ' ILE . 29.7 mt-10 -130.7 87.21 50.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.13 7.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 69.18 59.07 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.733 ' CD1' HG23 ' A' ' 133' ' ' VAL . 12.8 mt -110.93 92.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.91 120.76 15.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.29 -167.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.673 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -94.17 -0.76 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 128' ' ' ASN . 22.6 p30 -170.92 37.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 162.77 -158.5 30.74 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.528 ' HB ' HG23 ' A' ' 83' ' ' ILE . 2.2 p -136.64 170.46 18.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.762 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.3 t -147.13 151.92 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' HIS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 77.7 m-70 -138.81 98.28 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.733 HG23 ' CD1' ' A' ' 124' ' ' ILE . 97.2 t -60.73 120.68 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.3 pt -99.0 170.55 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . 0.512 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 38.0 p -117.12 28.18 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.576 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -179.78 144.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.564 HG21 HD11 ' A' ' 56' ' ' LEU . 75.8 t -72.44 115.74 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 17.1 mt -65.66 164.59 14.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -138.39 153.54 72.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.57 -61.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.994 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -134.85 94.04 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.54 -156.24 7.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.0 -60.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.974 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.06 -61.72 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.45 178.3 16.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.32 -160.38 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -172.48 116.35 0.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.142 . . . . 0.0 111.002 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.95 HG22 ' OG1' ' A' ' 127' ' ' THR . 5.8 p -63.38 157.15 23.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.723 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.06 -57.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.646 ' SD ' HD13 ' A' ' 28' ' ' ILE . 25.9 mmm -59.94 -55.55 32.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.32 -46.79 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 9' ' ' GLY . 7.1 t -48.44 -33.36 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.668 HD22 ' CB ' ' A' ' 47' ' ' ALA . 11.3 mt -81.08 -42.28 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.826 ' HG2' HG11 ' A' ' 25' ' ' VAL . 11.5 mtpt -59.67 -41.27 90.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.56 -50.65 62.49 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.487 ' HB3' ' CD2' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -70.55 124.79 25.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 0.787 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -39.85 77.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.19 -34.6 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.1 m-85 -110.76 48.01 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.8 p -86.95 -63.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -24.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD22 ' HD2' ' A' ' 48' ' ' PRO . 8.6 tp -69.93 -53.37 18.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.826 HG11 ' HG2' ' A' ' 16' ' ' LYS . 86.7 t -45.58 -55.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.57 -41.33 6.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.609 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -61.77 -43.32 99.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 25' ' ' VAL . 11.1 mt -64.95 -55.62 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -48.16 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -46.32 89.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' CB ' HD12 ' A' ' 75' ' ' LEU . . . -62.08 -32.98 73.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.45 44.24 5.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HB2' HG23 ' A' ' 28' ' ' ILE . 4.6 mt -109.72 -22.01 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' ASN . 4.4 m -44.42 -54.33 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -53.04 -55.37 24.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -48.36 -49.1 35.81 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 10.2 mt -75.16 -16.64 60.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' THR . 6.9 t-20 -72.93 -37.98 66.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -75.93 138.91 41.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -45.78 168.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.522 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 133.39 -137.22 9.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -155.09 130.88 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -156.03 116.42 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 m -86.72 109.47 19.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.359 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.602 HG13 HG13 ' A' ' 79' ' ' ILE . 5.8 t -114.76 154.89 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 94.2 m-85 -125.07 115.21 20.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.668 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -107.26 117.11 56.97 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.593 ' HD2' HD22 ' A' ' 24' ' ' LEU . 18.1 Cg_endo -75.0 -178.09 3.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 52' ' ' ALA . 38.4 p -73.93 -166.48 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -86.1 -46.18 10.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -14.74 61.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB2' ' OG1' ' A' ' 49' ' ' THR . . . -57.26 -32.94 67.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -80.35 -49.42 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -49.81 -22.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.9 -39.11 61.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.626 HD11 HG21 ' A' ' 137' ' ' VAL . 88.1 mt -52.05 139.51 33.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' HB3' ' A' ' 61' ' ' ARG . 18.4 Cg_endo -75.05 166.01 30.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.06 9.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.452 1.764 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -91.77 -41.06 10.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.5 tp10 -95.62 -47.01 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 57' ' ' PRO . 28.3 ttp85 -51.37 -64.81 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.17 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.8 t -45.31 -62.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' SER . 0.7 OUTLIER -37.79 -54.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.436 HD11 ' OE2' ' A' ' 60' ' ' GLU . 4.5 mt -50.73 -60.09 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.91 -18.33 55.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.79 -94.53 1.05 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.549 1.156 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.79 129.32 40.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.92 -44.67 19.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.37 -56.15 5.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.44 -31.86 73.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.609 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -62.51 -70.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.69 -35.57 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -52.16 -53.84 38.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.421 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 23.9 mm -60.7 -48.36 89.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.649 ' O ' HD12 ' A' ' 79' ' ' ILE . 10.3 mt -55.36 -45.96 76.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -52.93 -46.72 68.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.866 ' O ' HD21 ' A' ' 103' ' ' LEU . 91.8 t80 -71.32 -15.89 62.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.8 m80 -89.89 -20.95 22.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.571 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 75' ' ' LEU . 4.0 mt -101.25 147.97 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.69 179.37 19.25 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -115.69 20.79 14.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' HD21 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -167.81 161.66 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.744 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.7 mm -92.27 110.99 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.682 HD23 ' N ' ' A' ' 85' ' ' VAL . 1.6 tt -116.6 119.81 36.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.685 HG12 ' HE1' ' A' ' 132' ' ' HIS . 31.5 m -137.34 158.61 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.564 ' HB2' HD22 ' A' ' 107' ' ' LEU . 87.2 p -71.14 67.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -111.35 -66.34 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.46 63.81 0.61 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.657 HG23 ' CG2' ' A' ' 93' ' ' VAL . 18.8 mm -79.74 -122.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.518 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 161.04 -62.84 0.28 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -148.69 -55.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 0.738 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.91 HD22 ' H ' ' A' ' 93' ' ' VAL . 1.4 tm? -148.23 147.74 29.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.91 ' H ' HD22 ' A' ' 92' ' ' LEU . 72.9 t -135.2 138.32 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -109.59 111.15 22.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 96' ' ' LYS . 3.5 tt -93.49 118.97 32.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -71.3 111.22 6.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.28 -179.23 7.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.2 mt -93.59 -46.32 7.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.19 -30.03 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.04 -39.86 1.83 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.37 129.13 34.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 0.803 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 135.9 44.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.866 HD21 ' O ' ' A' ' 77' ' ' TYR . 30.0 mt -86.03 129.75 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.592 1.182 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.87 ' HG2' HD21 ' A' ' 92' ' ' LEU . 2.3 tt0 -91.46 130.17 37.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 t -142.54 130.58 20.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 p -139.22 169.41 17.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.696 HD13 HG22 ' A' ' 112' ' ' VAL . 21.3 tp -128.43 112.49 14.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -137.31 140.22 41.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 5.1 m-20 57.63 18.14 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 25.4 t-20 76.75 13.61 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.1 t -107.68 139.53 29.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.696 HG22 HD13 ' A' ' 107' ' ' LEU . 66.2 t -98.28 141.14 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.41 148.05 45.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.629 HG13 HD21 ' A' ' 138' ' ' LEU . 2.7 p -132.75 103.97 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 3.7 m-20 75.2 27.99 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 mttm 76.72 26.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.46 142.43 30.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.18 17.52 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 133' ' ' VAL . 52.9 t -90.69 150.34 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.65 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -80.12 -68.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -145.46 87.86 6.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.53 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -75.0 177.56 8.43 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.807 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.4 t70 72.9 62.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.731 HD11 HG23 ' A' ' 133' ' ' VAL . 15.5 mt -113.47 93.11 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.6 mmt -64.96 130.01 41.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -113.36 -166.7 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.95 ' OG1' HG22 ' A' ' 10' ' ' THR . 45.2 p -82.1 -33.84 29.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.99 46.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 168.08 -169.87 41.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.744 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -134.14 170.03 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.723 ' CG2' HG23 ' A' ' 11' ' ' VAL . 25.5 t -147.88 149.3 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.685 ' HE1' HG12 ' A' ' 85' ' ' VAL . 65.3 m-70 -137.86 101.84 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.731 HG23 HD11 ' A' ' 124' ' ' ILE . 64.3 t -60.96 130.34 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.0 OUTLIER -106.87 165.95 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 20.0 p -96.51 -5.72 38.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.426 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.526 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.9 OUTLIER -162.47 152.14 15.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.626 HG21 HD11 ' A' ' 56' ' ' LEU . 3.6 t -67.06 128.81 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.629 HD21 HG13 ' A' ' 114' ' ' VAL . 21.8 mt -69.15 167.65 15.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -144.55 138.01 14.23 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.421 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.02 157.38 42.7 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.565 1.824 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 68.8 p -55.38 142.31 32.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 175.59 158.6 19.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 101.07 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.811 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.21 82.11 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 2.2 m -145.37 -58.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 110.036 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.483 1.114 . . . . 0.0 110.941 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.06 166.55 7.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.17 154.89 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.955 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.38 176.06 19.32 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -115.44 -57.05 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 110.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -100.76 135.35 42.34 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.35 -165.95 31.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 mtt -155.52 118.49 4.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 0.759 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.533 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -123.69 100.27 0.65 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.894 HG22 ' OG1' ' A' ' 127' ' ' THR . 3.0 p -57.46 156.53 7.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.74 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -36.93 -59.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.759 ' SD ' HD13 ' A' ' 28' ' ' ILE . 13.2 mmm -57.23 -46.52 82.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.416 ' HB2' ' N ' ' A' ' 10' ' ' THR . 0.3 OUTLIER -56.09 -49.26 74.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 9' ' ' GLY . 4.9 t -45.44 -32.38 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 47' ' ' ALA . 9.2 mt -78.75 -42.26 28.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.73 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.9 mttt -62.6 -47.25 84.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.22 -37.54 87.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.75 129.49 34.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -75.92 -43.91 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.89 -38.36 3.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.431 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.2 m-85 -108.28 54.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -89.47 -67.28 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.47 -30.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.7 tp -64.5 -54.59 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.73 HG11 ' HG2' ' A' ' 16' ' ' LYS . 70.2 t -45.91 -54.26 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.8 -44.07 6.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.057 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.63 -44.6 93.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.759 HD13 ' SD ' ' A' ' 12' ' ' MET . 63.0 mt -63.06 -58.66 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.96 -52.53 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.03 -39.15 93.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.63 72.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.84 42.21 8.35 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 mt -109.07 -22.29 12.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.1 m -46.93 -53.03 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.37 -56.65 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -52.17 -48.31 65.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.8 mt -75.39 -4.4 39.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.3 t-20 -86.78 -24.86 24.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.79 157.03 20.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -66.03 159.12 26.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.661 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 143.31 -130.22 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 41' ' ' GLY . 3.4 m -158.87 130.24 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -156.56 116.31 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.5 m -87.56 105.24 17.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.418 HG13 HG13 ' A' ' 79' ' ' ILE . 3.0 t -107.2 156.16 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 91.7 m-85 -130.0 113.38 14.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.147 . . . . 0.0 110.944 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -105.45 116.89 59.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.4 Cg_endo -74.94 173.12 15.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 5.4 p -75.21 -179.44 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.444 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -73.23 -45.37 56.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -15.35 58.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -66.63 -54.54 22.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.484 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 46.1 m-85 -65.43 -29.44 70.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -67.07 -27.94 67.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.239 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.59 69.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.597 HD22 ' CD ' ' A' ' 60' ' ' GLU . 12.0 mt -43.18 138.84 2.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.5 Cg_endo -75.0 166.96 28.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -6.76 18.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.444 1.76 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.09 -33.07 15.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.597 ' CD ' HD22 ' A' ' 56' ' ' LEU . 7.3 tt0 -96.01 -17.14 21.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -67.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 66' ' ' GLY . 36.7 t -58.74 -23.87 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -58.98 -50.38 74.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.405 HD11 HG13 ' A' ' 74' ' ' ILE . 34.3 mt -88.1 -45.17 10.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.74 -16.69 61.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -106.85 -75.88 0.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.98 128.42 36.38 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -82.66 -50.31 8.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -40.82 -58.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -36.0 78.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.057 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -52.15 -69.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -50.46 -48.66 56.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ALA . 11.0 t30 -39.69 -46.75 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.464 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 32.0 mm -70.05 -59.17 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.502 HD13 HG12 ' A' ' 28' ' ' ILE . 7.8 mt -44.05 -54.67 5.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HE3' ' HB1' ' A' ' 72' ' ' ALA . 16.3 mttt -46.14 -54.49 8.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.81 ' O ' HD11 ' A' ' 103' ' ' LEU . 77.0 t80 -61.35 -21.78 64.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 9.8 m80 -84.53 -19.38 33.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.617 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.418 HG13 HG13 ' A' ' 45' ' ' VAL . 5.2 mt -101.33 144.97 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.42 163.39 12.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -101.46 40.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 171.54 160.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.585 HG23 ' CG1' ' A' ' 130' ' ' VAL . 4.9 mm -89.66 134.14 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.622 ' C ' HD23 ' A' ' 84' ' ' LEU . 5.7 tt -141.81 119.98 12.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.619 HG12 ' CE1' ' A' ' 132' ' ' HIS . 34.6 m -136.22 159.56 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 t -69.47 67.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -133.63 53.98 0.78 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.03 62.99 0.24 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.431 HD11 ' O ' ' A' ' 85' ' ' VAL . 1.0 OUTLIER -105.75 102.88 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -53.93 -39.47 62.71 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.473 1.108 . . . . 0.0 111.045 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.26 -51.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 0.751 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.935 HD13 ' N ' ' A' ' 93' ' ' VAL . 3.0 tm? -141.58 154.12 45.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.935 ' N ' HD13 ' A' ' 92' ' ' LEU . 35.1 t -142.8 136.7 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.3 mtp85 -103.8 114.93 29.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -106.42 115.75 30.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.588 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -69.46 123.6 21.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -93.28 149.89 20.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.502 ' N ' HD12 ' A' ' 98' ' ' LEU . 6.0 mp -58.6 -35.82 73.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.94 -19.28 51.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 114.16 -44.69 1.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.55 131.4 45.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 0.735 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 129.24 34.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.81 HD11 ' O ' ' A' ' 77' ' ' TYR . 32.8 mt -85.04 155.97 21.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.514 ' HG2' HD11 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -113.03 131.57 55.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -141.83 124.9 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -138.57 174.79 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 111' ' ' VAL . 27.3 tp -124.67 117.38 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -135.9 134.04 38.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 1.2 t-20 61.11 16.35 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 2.2 t-20 81.96 10.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.564 ' O ' HD12 ' A' ' 107' ' ' LEU . 15.1 t -107.97 150.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.3 t -104.33 133.25 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.65 149.35 49.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 114' ' ' VAL . 11.1 p -134.24 102.86 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 1.6 m-20 75.46 33.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt 71.8 25.37 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.602 ' OE2' HD23 ' A' ' 138' ' ' LEU . 2.0 mt-10 -116.84 138.91 25.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.2 Cg_endo -75.02 132.94 15.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 133' ' ' VAL . 56.5 t -87.68 146.94 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.718 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -76.27 -66.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -146.73 88.67 5.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.503 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -75.0 173.08 15.12 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.465 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 4.4 t70 76.62 60.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.793 ' CD1' HG23 ' A' ' 133' ' ' VAL . 11.9 mt -113.19 93.04 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -65.84 141.63 58.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -122.76 -166.35 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.894 ' OG1' HG22 ' A' ' 10' ' ' THR . 81.8 p -85.78 -23.86 27.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -158.58 48.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 163.23 -165.83 36.78 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.585 ' CG1' HG23 ' A' ' 83' ' ' ILE . 5.2 p -139.9 170.55 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.74 ' CG2' HG23 ' A' ' 11' ' ' VAL . 38.8 t -148.1 153.19 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.619 ' CE1' HG12 ' A' ' 85' ' ' VAL . 87.8 m-70 -140.4 99.83 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.793 HG23 ' CD1' ' A' ' 124' ' ' ILE . 64.7 t -57.57 129.16 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -106.5 171.39 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 120' ' ' ALA . 24.3 p -118.83 30.6 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.502 ' O ' HD12 ' A' ' 134' ' ' ILE . 1.3 m-20 179.39 148.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.91 110.67 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.602 HD23 ' OE2' ' A' ' 117' ' ' GLU . 25.5 mt -61.3 161.8 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -139.6 151.32 66.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.464 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.01 159.19 41.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.3 t -91.26 -51.58 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 67.75 -166.61 42.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -50.69 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.69 131.61 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.4 t -142.41 -58.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.037 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 p -99.56 -56.87 2.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 110.024 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 p -155.02 124.89 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.81 135.84 4.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.32 95.24 2.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.79 136.32 56.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.99 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.81 -167.87 13.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mtt 66.17 128.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -131.4 104.42 0.58 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.952 HG22 ' OG1' ' A' ' 127' ' ' THR . 6.1 p -63.06 156.59 24.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.832 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.6 -59.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.598 ' SD ' HG21 ' A' ' 28' ' ' ILE . 14.4 mmm -57.49 -47.9 80.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -55.94 -48.86 74.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 9' ' ' GLY . 4.2 t -44.78 -29.64 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.9 mt -85.51 -42.71 14.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.682 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.9 mttt -59.41 -45.51 91.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.93 -54.58 34.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.18 130.41 41.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -75.88 -34.09 59.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -44.55 -41.4 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -109.16 58.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.7 p -88.73 -54.17 4.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 68.2 mtp -52.91 -42.12 65.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 11.8 tp -53.97 -59.61 4.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' HG2' ' A' ' 16' ' ' LYS . 79.7 t -43.08 -54.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.73 -39.02 4.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.047 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -66.36 -44.32 83.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.598 HG21 ' SD ' ' A' ' 12' ' ' MET . 66.7 mt -63.03 -49.71 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.84 -52.13 65.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -37.73 86.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.51 -30.91 69.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.38 34.01 15.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mt -102.13 -24.36 13.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.466 ' OG1' HG22 ' A' ' 28' ' ' ILE . 6.4 m -43.72 -50.17 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.4 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.78 -53.99 51.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -54.33 -33.88 59.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' CB ' ' HG2' ' A' ' 12' ' ' MET . 22.6 mt -91.17 4.33 52.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -101.43 -21.84 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.98 151.99 23.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 155.68 7.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.612 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 141.96 -134.45 6.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 41' ' ' GLY . 11.4 m -157.56 131.52 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.74 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -155.71 117.9 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -89.4 102.37 15.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.631 HG13 HG13 ' A' ' 79' ' ' ILE . 3.3 t -104.34 156.44 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 80.4 m-85 -129.94 112.87 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.492 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.3 117.9 56.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.95 -179.14 4.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.484 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 2.7 p -86.48 178.22 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -69.68 -43.09 73.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.03 -17.17 64.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -66.62 -58.3 5.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 71.0 m-85 -62.96 -36.68 84.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -60.15 -23.02 63.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.87 -36.07 50.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 10.0 mt -54.4 141.35 53.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -74.97 175.2 11.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.4 20.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -84.67 -55.41 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -65.9 -15.82 63.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HG2' HD12 ' A' ' 65' ' ' LEU . 2.0 ttp180 -70.36 -73.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -19.22 15.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -60.06 -45.89 91.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.7 mt -97.53 -46.77 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.578 HD12 ' HG2' ' A' ' 61' ' ' ARG . 75.5 mt -60.07 -28.66 67.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.15 -85.35 1.06 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.18 119.53 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.7 78.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.82 -57.82 5.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -66.74 -29.35 69.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.047 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.6 tt -61.33 -65.02 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.71 -45.52 66.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -42.07 -50.71 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.407 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 31.7 mm -64.41 -56.46 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.583 HD13 HG12 ' A' ' 28' ' ' ILE . 5.0 mt -46.58 -51.93 14.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -49.4 -52.04 31.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.635 ' O ' HD11 ' A' ' 103' ' ' LEU . 89.9 t80 -65.92 -19.18 65.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.0 m80 -86.26 -20.18 28.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.631 HG13 HG13 ' A' ' 45' ' ' VAL . 4.2 mt -101.13 147.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.55 176.56 17.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -117.03 38.04 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.489 ' HG2' HD21 ' A' ' 95' ' ' LEU . 3.9 pt-20 178.43 158.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.773 HG23 ' HB ' ' A' ' 130' ' ' VAL . 5.1 mm -92.25 101.86 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 85' ' ' VAL . 2.5 tt -115.15 121.58 43.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.726 HG12 ' CE1' ' A' ' 132' ' ' HIS . 18.7 m -136.46 175.64 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -78.99 55.12 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.016 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.57 -56.03 0.45 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.093 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.77 58.04 0.71 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.589 HG22 ' N ' ' A' ' 90' ' ' GLY . 43.7 mm -63.74 -112.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.626 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . 127.72 60.47 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 79.38 -71.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.832 HD13 ' N ' ' A' ' 93' ' ' VAL . 1.7 tm? -147.76 152.15 37.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.832 ' N ' HD13 ' A' ' 92' ' ' LEU . 24.7 t -142.71 141.89 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -104.94 106.01 16.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -89.3 116.99 27.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.493 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -73.1 122.12 21.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 p -92.56 177.69 6.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.5 mt -85.44 -45.68 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -47.63 -29.55 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 125.57 -40.73 1.8 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.45 133.82 45.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 133.28 35.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 77' ' ' TYR . 14.7 mt -89.32 147.8 23.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.823 ' HG2' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -104.98 130.37 53.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -139.98 127.75 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 p -140.72 171.19 14.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.1 tp -125.44 113.86 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -137.64 135.79 36.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.415 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 12.9 t30 59.59 18.75 7.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.5 t-20 76.25 15.99 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.4 t -110.17 139.48 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.7 t -99.62 139.82 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.74 150.74 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.7 p -138.23 104.88 2.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.583 HD22 HD22 ' A' ' 138' ' ' LEU . 6.8 m-20 75.02 31.56 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 70.55 29.46 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -122.63 144.53 42.67 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 140.16 25.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 133' ' ' VAL . 72.1 t -97.22 147.7 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.792 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -79.27 -65.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.452 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.9 mt-10 -147.6 88.62 5.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.502 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.99 -178.4 4.14 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.798 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.459 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 2.4 m-20 63.32 65.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.772 HD12 HG12 ' A' ' 131' ' ' VAL . 20.8 mt -113.23 92.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 3.6 mmt -58.93 134.7 57.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -122.15 -166.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.952 ' OG1' HG22 ' A' ' 10' ' ' THR . 43.4 p -85.4 -34.63 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.449 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.59 49.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 166.54 -164.69 37.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.773 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -141.08 170.28 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.832 ' CG2' HG23 ' A' ' 11' ' ' VAL . 28.9 t -148.35 147.91 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.726 ' CE1' HG12 ' A' ' 85' ' ' VAL . 80.3 m-70 -137.56 97.14 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 120' ' ' ALA . 89.5 t -56.78 130.99 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.1 pt -106.05 171.29 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 40.7 p -118.81 31.75 6.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 110.391 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 174.43 144.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.9 125.18 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.583 HD22 HD22 ' A' ' 115' ' ' ASN . 20.3 mt -77.53 157.77 30.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -139.2 151.48 67.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.407 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.0 168.54 24.62 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.7 104.16 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.76 157.58 24.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.576 1.173 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.33 14.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 15.0 t -149.73 106.57 3.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.0 157.48 11.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.458 ' HA3' HG22 ' A' ' 14' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t 67.91 88.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.943 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -160.66 144.84 13.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.12 -148.92 20.95 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -64.19 -54.41 34.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.48 100.52 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.02 -177.44 14.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.76 128.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.513 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -134.23 106.7 0.62 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.877 HG22 ' OG1' ' A' ' 127' ' ' THR . 3.7 p -60.65 157.85 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.407 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.842 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.01 -56.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.624 ' SD ' HD13 ' A' ' 28' ' ' ILE . 8.0 mmm -61.41 -52.76 63.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.3 m-20 -49.75 -47.86 50.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 9' ' ' GLY . 2.7 t -45.88 -36.98 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 47' ' ' ALA . 13.6 mt -73.53 -37.96 65.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.5 mttt -64.13 -41.11 97.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.235 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.01 -56.48 24.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.68 129.39 39.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -72.93 -42.34 63.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -39.99 -43.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.3 m-85 -103.8 54.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 p -89.16 -66.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.03 -31.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.3 tp -63.74 -56.67 13.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.749 ' HA ' HD12 ' A' ' 28' ' ' ILE . 65.4 t -42.24 -51.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.43 -51.67 8.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.814 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -51.46 -55.75 17.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.749 HD12 ' HA ' ' A' ' 25' ' ' VAL . 5.1 mt -51.48 -64.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.33 -45.29 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -50.01 68.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.05 -32.56 72.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.24 42.73 5.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.08 -20.95 13.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.521 ' OG1' HG22 ' A' ' 28' ' ' ILE . 9.3 m -45.95 -53.69 9.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.4 mt-10 -54.32 -57.4 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -44.69 -50.03 10.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.72 -21.7 59.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' GLU . 8.2 t-20 -67.83 -31.09 70.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -79.75 143.71 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -50.62 159.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.524 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 141.72 -137.5 8.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 41' ' ' GLY . 3.7 m -155.0 130.98 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -156.63 118.75 3.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.513 ' HB ' HD11 ' A' ' 95' ' ' LEU . 19.5 m -88.98 105.47 17.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.448 HG13 HG13 ' A' ' 79' ' ' ILE . 3.3 t -110.44 155.88 11.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 98.6 m-85 -127.91 114.05 16.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.551 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -103.72 116.82 61.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.505 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.02 -175.9 2.6 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 p -90.69 -172.15 3.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -75.94 -46.63 28.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -19.64 62.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -63.6 -58.89 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 53.2 m-85 -62.49 -34.88 77.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -64.12 -24.31 67.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.03 -43.1 59.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.628 HD11 HG11 ' A' ' 137' ' ' VAL . 12.6 mt -42.11 143.49 1.01 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 163.0 36.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.52 8.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.79 . . . . 0.0 111.035 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.48 -32.67 11.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' OE2' HD22 ' A' ' 56' ' ' LEU . 3.6 tt0 -95.9 -17.21 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -73.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.7 t -52.71 -23.04 5.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -57.65 -68.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.91 -48.34 71.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.98 -15.54 32.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -97.35 -85.32 1.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.23 141.31 57.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.37 -47.51 8.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -42.31 -67.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.47 -40.65 59.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.814 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -50.21 -70.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.99 -38.06 35.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -51.17 -46.02 61.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.472 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 24.4 mm -69.99 -52.25 32.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 79' ' ' ILE . 8.0 mt -50.88 -53.18 34.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -47.34 -53.84 12.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.594 ' O ' HD11 ' A' ' 103' ' ' LEU . 78.9 t80 -62.22 -20.53 64.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.4 m80 -84.34 -18.75 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.621 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.752 HG22 HD21 ' A' ' 98' ' ' LEU . 2.9 mt -103.17 146.84 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.42 176.05 17.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -114.52 45.12 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.439 ' HG2' ' CD2' ' A' ' 95' ' ' LEU . 1.1 pt-20 171.65 158.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.776 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.4 mm -92.06 121.14 42.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.441 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 4.4 tt -124.47 120.65 32.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.824 ' O ' HD11 ' A' ' 89' ' ' ILE . 31.0 m -134.88 162.0 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.448 ' HB2' HD22 ' A' ' 107' ' ' LEU . 88.0 p -71.05 61.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.017 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -147.34 82.76 0.19 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.89 48.56 1.01 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.824 HD11 ' O ' ' A' ' 85' ' ' VAL . 0.8 OUTLIER -106.25 103.76 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.37 -39.6 90.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -175.87 -60.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.428 HD12 ' HB3' ' A' ' 106' ' ' SER . 0.9 OUTLIER -141.54 146.02 35.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.5 t -135.85 148.54 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -105.87 106.52 17.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.513 HD11 ' HB ' ' A' ' 44' ' ' THR . 1.1 tt -90.3 115.17 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.506 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -69.54 130.68 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 p -105.63 149.89 25.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.752 HD21 HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -59.48 -47.41 85.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.415 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 5.7 tm0? -44.75 -34.82 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.96 -46.94 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.64 133.9 52.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -80.42 134.13 35.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.594 HD11 ' O ' ' A' ' 77' ' ' TYR . 27.4 mt -92.78 143.49 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' HG2' HD11 ' A' ' 92' ' ' LEU . 2.6 mt-10 -102.34 130.37 49.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.35 125.1 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.428 ' HB3' HD12 ' A' ' 92' ' ' LEU . 4.0 p -136.81 177.95 7.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.448 HD22 ' HB2' ' A' ' 86' ' ' SER . 51.8 tp -137.25 106.7 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -133.39 143.0 48.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 13.8 m120 56.5 18.92 3.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.3 t-20 75.19 18.07 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.47 137.93 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -100.8 141.12 18.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.01 152.74 51.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 114' ' ' VAL . 12.6 p -139.09 106.87 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.637 HD22 HD22 ' A' ' 138' ' ' LEU . 9.5 m-20 73.1 28.91 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt 73.64 30.16 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.629 ' OE1' HD23 ' A' ' 138' ' ' LEU . 2.7 mt-10 -122.88 143.5 40.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 134.97 18.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 133' ' ' VAL . 79.4 t -92.57 153.59 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.716 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -83.53 -69.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -145.04 86.57 7.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.496 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.97 177.91 7.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 2.6 t70 75.72 61.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.727 HD12 HG12 ' A' ' 131' ' ' VAL . 11.7 mt -115.83 93.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.6 mmt -68.5 132.34 46.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.09 -167.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.877 ' OG1' HG22 ' A' ' 10' ' ' THR . 18.8 p -88.99 -9.8 50.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.66 47.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 160.32 -166.12 35.14 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.776 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -138.39 169.99 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.842 ' CG2' HG23 ' A' ' 11' ' ' VAL . 24.5 t -148.25 149.42 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 67.5 m-70 -137.84 102.1 4.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.603 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.716 HG12 ' HB3' ' A' ' 120' ' ' ALA . 93.5 t -59.67 122.16 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 136' ' ' ASN . 43.0 pt -100.73 167.38 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.552 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 42.2 p -116.7 39.34 3.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.688 ' O ' HD12 ' A' ' 134' ' ' ILE . 1.0 OUTLIER 170.86 149.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.628 HG11 HD11 ' A' ' 56' ' ' LEU . 71.2 t -78.61 115.33 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.637 HD22 HD22 ' A' ' 115' ' ' ASN . 14.0 mt -65.97 158.26 28.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -143.96 146.98 36.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.472 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.1 Cg_endo -75.03 146.24 32.29 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 110.957 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.5 p -48.23 -74.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 70.99 -162.19 54.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 111.041 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.7 m -70.39 157.44 37.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 53.1 m 43.44 82.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.59 144.83 32.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 0.741 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.74 117.0 11.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.99 -170.71 24.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.18 114.51 3.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 m -171.41 131.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.1 -141.27 4.02 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.4 mtm -165.74 124.4 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.783 . . . . 0.0 110.988 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.734 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -137.04 110.53 0.78 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.944 HG22 ' OG1' ' A' ' 127' ' ' THR . 7.7 p -53.15 154.46 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 110.401 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.779 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -39.59 -55.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.604 ' SD ' HG21 ' A' ' 28' ' ' ILE . 14.2 mmm -60.16 -55.28 35.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' LYS . 10.5 m-20 -49.6 -48.85 48.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 9' ' ' GLY . 4.6 t -44.56 -34.34 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.664 HD22 ' CB ' ' A' ' 47' ' ' ALA . 12.2 mt -78.08 -40.42 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.695 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.5 mttt -65.19 -44.82 87.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.41 -63.44 4.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.72 140.27 56.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 0.785 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -80.0 -36.67 35.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.2 -30.69 2.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -117.34 53.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.0 p -88.44 -68.92 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.543 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 56.6 mtp -41.12 -43.18 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.3 tp -49.4 -57.93 6.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG11 ' HG2' ' A' ' 16' ' ' LYS . 74.3 t -42.52 -51.34 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 23' ' ' MET . . . -44.25 -46.26 8.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.015 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.68 -45.33 92.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 25' ' ' VAL . 10.6 mt -64.99 -50.5 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.55 -45.69 69.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -45.42 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.52 67.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.32 42.96 26.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mt -104.73 -23.43 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -40.52 -56.66 2.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.16 -57.13 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -52.52 -34.52 50.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.5 mt -93.43 8.39 40.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.54 -19.02 13.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -87.3 145.9 26.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -54.28 142.87 24.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.664 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 155.76 -132.59 3.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -159.54 130.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.75 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -156.27 119.9 4.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.9 m -89.91 100.72 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG13 HG13 ' A' ' 79' ' ' ILE . 2.7 t -102.26 155.94 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 82.5 m-85 -128.95 109.45 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.664 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -104.06 117.75 58.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.503 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.3 Cg_endo -74.99 -177.19 3.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.9 p -87.91 -172.22 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -51.91 11.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.15 -21.87 60.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -58.92 -55.16 38.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' LEU . 44.4 m-85 -62.65 -48.8 77.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -22.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -75.35 -39.84 58.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.616 HD11 HG11 ' A' ' 137' ' ' VAL . 14.0 mt -49.37 142.46 10.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.3 Cg_endo -75.02 172.96 15.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -6.47 18.05 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -93.62 -42.95 8.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.7 -18.49 51.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.687 ' HD3' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -69.0 -74.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -19.84 8.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -47.91 79.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 mt -90.47 -47.46 7.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' HD3' ' A' ' 61' ' ' ARG . 95.7 mt -61.43 -17.34 53.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.4 -80.93 1.54 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -61.01 125.2 22.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.32 -42.59 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 -61.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -29.66 67.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.015 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -57.4 -69.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.88 -40.54 43.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -48.66 -47.55 40.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 26.2 mm -68.85 -53.26 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 79' ' ' ILE . 10.8 mt -49.25 -45.99 45.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -51.74 -55.11 21.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.606 ' O ' HD11 ' A' ' 103' ' ' LEU . 89.8 t80 -63.66 -15.41 58.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.3 m80 -88.11 -20.06 26.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.771 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.2 mt -101.08 151.62 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.75 169.69 13.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.712 ' OD2' HD23 ' A' ' 98' ' ' LEU . 3.6 m-20 -100.59 12.07 38.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -166.58 165.5 16.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.669 HG23 ' HB ' ' A' ' 130' ' ' VAL . 8.7 mm -90.42 126.34 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 85' ' ' VAL . 2.3 tt -131.52 119.84 22.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.805 HG12 ' HE1' ' A' ' 132' ' ' HIS . 26.9 m -136.46 171.57 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 65.2 p -69.95 60.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -103.2 58.33 0.54 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 71.4 73.02 0.84 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.689 HG23 ' CG2' ' A' ' 93' ' ' VAL . 27.2 mm -72.21 -117.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.574 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 172.42 -49.61 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -167.08 -56.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.889 HD22 ' H ' ' A' ' 93' ' ' VAL . 1.4 tm? -148.82 148.38 29.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.889 ' H ' HD22 ' A' ' 92' ' ' LEU . 98.6 t -137.2 123.26 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -91.33 117.25 29.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 96' ' ' LYS . 2.5 tt -104.82 117.78 34.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.547 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -74.95 110.18 9.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 98' ' ' LEU . 11.5 t -78.84 177.42 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.032 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.712 HD23 ' OD2' ' A' ' 81' ' ' ASP . 8.8 mt -82.08 -47.53 12.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -34.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.14 -43.09 1.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.78 136.6 57.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.43 126.39 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.606 HD11 ' O ' ' A' ' 77' ' ' TYR . 49.5 mt -81.43 163.19 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.819 ' HG2' HD21 ' A' ' 92' ' ' LEU . 1.8 mt-10 -127.84 130.74 49.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 93' ' ' VAL . 3.4 t -142.67 124.72 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 p -129.37 174.2 9.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.923 HD13 HG22 ' A' ' 112' ' ' VAL . 23.3 tp -135.19 112.89 10.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -137.46 145.24 42.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.451 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.2 m120 56.59 18.57 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.8 t-20 78.32 7.36 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.48 ' O ' HD12 ' A' ' 107' ' ' LEU . 6.1 t -105.1 142.7 17.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.923 HG22 HD13 ' A' ' 107' ' ' LEU . 68.2 t -95.95 145.79 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.03 152.54 51.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -138.73 106.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.617 HD22 HD22 ' A' ' 138' ' ' LEU . 16.1 m-20 71.56 34.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 4.8 mtmm 68.79 34.73 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.351 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.49 ' OE2' HD23 ' A' ' 138' ' ' LEU . 1.6 mt-10 -126.82 142.29 43.02 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.54 20.63 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 133' ' ' VAL . 55.4 t -93.3 149.88 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.724 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.27 -65.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.537 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.8 mt-10 -147.3 88.14 5.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.549 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.97 -178.07 3.9 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.4 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 1.9 m-20 62.92 65.92 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.771 HD12 HG12 ' A' ' 131' ' ' VAL . 14.5 mt -114.89 92.29 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 3.9 mmt -60.47 130.01 44.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -112.32 -166.2 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.944 ' OG1' HG22 ' A' ' 10' ' ' THR . 17.2 p -93.56 -10.09 35.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -170.59 45.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 162.43 -163.7 35.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.669 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -137.53 169.56 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.779 ' CG2' HG23 ' A' ' 11' ' ' VAL . 24.7 t -149.0 145.98 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.805 ' HE1' HG12 ' A' ' 85' ' ' VAL . 67.9 m-70 -136.41 97.88 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.724 HG12 ' HB3' ' A' ' 120' ' ' ALA . 92.7 t -57.18 127.56 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.3 pt -105.49 171.46 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.443 HG22 ' HB2' ' A' ' 120' ' ' ALA . 61.4 p -118.33 35.23 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.656 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER 175.09 149.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.616 HG11 HD11 ' A' ' 56' ' ' LEU . 80.8 t -78.85 107.06 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.617 HD22 HD22 ' A' ' 115' ' ' ASN . 27.7 mt -56.78 157.63 5.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -141.05 151.55 62.51 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.96 165.63 30.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.4 p -75.94 -69.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 56.32 177.1 0.3 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 73.68 4.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 30.1 t -178.55 92.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.11 80.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.996 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 t -108.63 -62.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p -175.88 118.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.21 78.83 0.28 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -165.97 164.7 18.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 t -78.58 151.18 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.96 -107.57 0.35 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptm -179.88 137.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.447 ' C ' HG23 ' A' ' 127' ' ' THR . . . -142.51 115.45 0.95 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.961 HG22 ' OG1' ' A' ' 127' ' ' THR . 20.0 p -61.33 161.98 8.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.71 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -43.91 -49.88 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.564 ' SD ' HG21 ' A' ' 28' ' ' ILE . 20.4 mmm -62.98 -55.98 21.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -50.15 -44.39 52.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -48.18 -33.57 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.681 HD22 ' HB2' ' A' ' 47' ' ' ALA . 8.7 mt -81.27 -43.02 19.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.681 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.4 mttt -59.64 -49.12 78.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.86 -56.19 19.71 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.83 122.55 18.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -67.86 -33.82 75.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -53.76 -26.98 26.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.8 m-85 -118.55 44.88 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -86.94 -51.76 5.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.957 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -34.68 68.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.5 tp -61.09 -52.74 63.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.681 HG11 ' HG2' ' A' ' 16' ' ' LYS . 70.4 t -45.0 -51.55 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.17 -38.48 5.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.909 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -67.04 -46.29 74.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.564 HG21 ' SD ' ' A' ' 12' ' ' MET . 18.8 mt -65.51 -48.47 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -53.91 44.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -40.82 97.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.32 72.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.61 41.83 9.58 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mt -106.91 -24.43 12.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.426 ' OG1' HG22 ' A' ' 28' ' ' ILE . 15.5 m -41.91 -51.21 4.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.366 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -57.47 10.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -55.24 -28.76 55.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.7 mt -95.81 3.42 53.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.1 t-20 -105.16 -20.44 13.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.93 145.77 31.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -57.18 136.32 56.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.639 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 160.62 -129.97 2.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.429 1.08 . . . . 0.0 110.961 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -159.17 130.86 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -156.27 119.84 4.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 m -91.47 107.1 18.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.352 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.578 HG22 HG12 ' A' ' 79' ' ' ILE . 4.6 t -110.84 157.71 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 94.7 m-85 -128.82 116.07 18.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.681 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -108.49 117.1 55.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.559 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.97 167.14 27.71 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.437 1.756 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.9 p -67.17 -177.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -78.03 -39.7 41.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -12.05 61.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.92 -60.71 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.559 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 60.8 m-85 -60.22 -32.48 71.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -64.03 -26.97 68.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.72 -40.33 55.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.3 mt -44.88 139.39 3.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -74.99 174.08 13.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.29 21.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -87.18 -43.89 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.19 -23.2 51.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -65.5 -76.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -53.49 -28.35 30.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.014 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -46.02 72.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.5 mt -97.72 -47.01 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.5 HD12 ' HG2' ' A' ' 61' ' ' ARG . 91.9 mt -60.82 -15.71 33.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -98.49 -79.64 1.47 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.03 132.9 55.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.16 -47.16 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -46.84 -56.28 6.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.79 -32.53 72.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.909 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -57.3 -70.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.98 -42.05 59.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -46.53 -49.15 19.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.6 mm -65.99 -54.53 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 78' ' ' HIS . 6.2 mt -48.37 -52.36 22.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -45.68 -51.24 12.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.656 ' O ' HD11 ' A' ' 103' ' ' LEU . 64.7 t80 -64.69 -24.3 67.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 11.5 m80 -81.88 -20.65 38.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.578 HG12 HG22 ' A' ' 45' ' ' VAL . 6.1 mt -101.7 150.0 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.03 177.29 16.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -112.96 38.14 2.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 0.788 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.8 pt-20 174.16 161.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.56 HG23 ' HB ' ' A' ' 130' ' ' VAL . 8.4 mm -93.15 130.71 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 85' ' ' VAL . 4.1 tt -136.85 120.02 16.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.608 ' N ' HD23 ' A' ' 84' ' ' LEU . 15.6 m -134.63 168.84 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.7 p -72.47 60.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.06 71.1 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.4 42.31 0.83 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.606 HG22 ' N ' ' A' ' 90' ' ' GLY . 9.3 mm -67.64 -112.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.606 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 128.68 62.82 0.12 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 74.4 -70.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.799 HD22 ' H ' ' A' ' 93' ' ' VAL . 1.7 tm? -146.72 151.33 37.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.799 ' H ' HD22 ' A' ' 92' ' ' LEU . 8.7 t -141.23 140.01 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -104.9 113.49 27.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -95.38 119.55 34.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.648 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -69.38 127.33 32.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.8 t -101.71 174.36 5.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.1 mt -85.53 -45.2 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -49.94 -30.39 10.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.54 -43.98 1.28 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.31 129.95 40.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.92 139.28 40.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.656 HD11 ' O ' ' A' ' 77' ' ' TYR . 29.0 mt -92.64 138.39 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.793 ' HG2' HD21 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -98.72 130.56 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 113' ' ' SER . 2.3 t -140.32 127.18 22.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.0 p -140.74 173.1 11.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 45.0 tp -125.29 108.32 11.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -129.12 138.61 51.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 58.46 19.16 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 75.17 19.33 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.9 t -114.98 143.9 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.1 t -95.1 144.06 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.433 ' O ' HG13 ' A' ' 105' ' ' VAL . 0.6 OUTLIER -138.94 150.22 45.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.484 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 4.3 p -135.76 101.65 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 3.2 m-20 78.75 31.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.404 ' C ' ' OE1' ' A' ' 117' ' ' GLU . 0.0 OUTLIER 76.6 1.33 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 117' ' ' GLU . 0.3 OUTLIER -92.55 142.23 25.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.31 26.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 133' ' ' VAL . 96.6 t -99.4 158.4 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -92.53 -81.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.535 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.8 mm-40 -124.33 87.11 54.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.37 4.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.71 64.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.728 HD12 HG12 ' A' ' 131' ' ' VAL . 17.0 mt -112.34 92.93 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 4.3 mmt -63.31 130.7 45.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -113.03 -166.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.961 ' OG1' HG22 ' A' ' 10' ' ' THR . 43.8 p -90.85 -15.83 29.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.441 HD22 ' N ' ' A' ' 128' ' ' ASN . 0.2 OUTLIER -166.23 45.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.533 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 163.26 -167.72 37.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.56 ' HB ' HG23 ' A' ' 83' ' ' ILE . 1.7 p -133.56 170.24 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.728 HG12 HD12 ' A' ' 124' ' ' ILE . 24.3 t -147.89 147.58 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.585 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 69.0 m-70 -136.65 97.17 3.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.622 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.624 HG23 ' CD1' ' A' ' 124' ' ' ILE . 86.8 t -58.92 126.87 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -104.33 170.63 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.541 HG22 ' HB2' ' A' ' 120' ' ' ALA . 4.9 p -110.81 23.73 13.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.455 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.677 ' O ' HD12 ' A' ' 134' ' ' ILE . 1.9 m-80 174.91 152.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 64.4 t -70.53 132.09 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 21.7 mt -77.52 162.77 26.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -142.5 144.54 30.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.91 28.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.955 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.5 t 57.3 161.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -76.64 156.59 46.52 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 78.77 2.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 36.1 p -44.72 -57.41 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.994 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.4 t -74.76 155.57 37.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t 56.44 79.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.63 -58.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.31 141.76 11.45 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.04 133.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.798 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.32 143.51 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.72 129.17 49.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.0 129.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.89 101.24 0.48 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 127' ' ' THR . 4.8 p -68.43 154.56 41.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 0.719 . . . . 0.0 110.371 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.836 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.74 -55.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.512 ' SD ' HG21 ' A' ' 28' ' ' ILE . 10.5 mmm -55.54 -46.77 77.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -58.06 -48.18 80.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 t -46.42 -30.67 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 12' ' ' MET . 11.9 mt -81.21 -41.22 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HG2' HG11 ' A' ' 25' ' ' VAL . 13.0 mttt -60.91 -43.3 98.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.35 -53.87 42.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.72 130.89 44.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -78.08 -42.82 30.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -38.45 -43.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -107.46 55.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 p -82.4 -58.99 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.952 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.13 -44.54 32.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 9.0 tp -47.63 -53.79 13.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.708 ' HA ' HD12 ' A' ' 28' ' ' ILE . 38.5 t -47.37 -58.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -41.53 -49.25 4.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.661 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -54.38 -46.74 73.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 25' ' ' VAL . 9.7 mt -64.19 -56.59 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -48.53 -42.47 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.49 -46.71 63.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.46 -32.61 71.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.69 40.72 8.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -104.35 -19.2 14.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.5 m -48.31 -52.68 20.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 38' ' ' ASN . 1.8 mt-10 -48.75 -59.12 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -45.14 -54.49 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD13 ' HG2' ' A' ' 12' ' ' MET . 9.0 mt -68.41 -19.87 64.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 5.3 t-20 -70.06 -27.58 64.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 -82.05 140.72 33.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.05 143.25 39.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.503 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 159.52 -133.45 3.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.122 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 41' ' ' GLY . 1.6 m -154.34 130.24 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -157.35 117.34 3.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.1 m -87.85 110.16 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 79' ' ' ILE . 10.1 t -113.8 157.92 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 86.0 m-85 -128.94 117.97 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.426 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -103.97 117.73 58.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.486 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.2 Cg_endo -74.96 -179.67 5.2 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' ' 135' ' ' THR . 29.8 p -78.67 -171.41 2.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.426 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -80.09 -47.65 14.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.07 -12.62 60.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -62.78 -49.66 74.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.42 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 38.4 m-85 -68.56 -45.37 72.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -55.49 -25.83 39.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.14 -46.3 65.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 57' ' ' PRO . 89.9 mt -42.87 140.11 1.95 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -74.97 165.82 30.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.32 9.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -94.32 -41.88 9.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.7 tp10 -93.53 -47.72 6.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -62.22 1.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -50.55 -50.88 52.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.09 -54.84 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 71' ' ' LEU . 5.8 mt -51.84 -59.68 4.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -60.55 -17.02 43.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.369 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.8 -94.8 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -61.1 122.74 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.77 -43.61 75.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.73 -64.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.84 -37.72 63.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.661 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -58.97 -70.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.87 -37.52 6.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -49.87 -49.84 47.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.467 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 21.8 mm -65.02 -52.14 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.706 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.7 mt -51.07 -49.51 60.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -50.2 -54.34 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.566 ' O ' HD21 ' A' ' 103' ' ' LEU . 89.3 t80 -62.58 -17.46 60.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -87.95 -21.3 24.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.635 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.4 mt -101.49 147.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.55 169.09 12.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -106.07 39.62 1.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 171.19 162.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.442 HG12 ' CG1' ' A' ' 42' ' ' VAL . 4.7 mm -88.3 130.86 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.681 ' C ' HD23 ' A' ' 84' ' ' LEU . 4.1 tt -138.51 119.81 14.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.846 HG12 ' HE1' ' A' ' 132' ' ' HIS . 11.8 m -138.12 176.84 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.1 p -77.47 55.99 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.21 62.38 0.88 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.0 75.52 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.776 HG23 ' CG2' ' A' ' 93' ' ' VAL . 27.6 mm -74.25 -116.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 0.785 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.561 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 171.03 -52.32 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -161.91 -56.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.353 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.953 HD21 ' HG2' ' A' ' 104' ' ' GLU . 1.9 tm? -148.32 151.16 34.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.839 ' N ' HD13 ' A' ' 92' ' ' LEU . 96.5 t -138.95 120.92 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.457 ' HG2' HD11 ' A' ' 92' ' ' LEU . 3.2 mmt180 -90.26 114.76 26.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.527 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -104.84 113.96 27.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.527 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -65.5 128.84 37.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 p -101.3 173.2 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.74 -57.59 3.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -39.49 -31.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.94 -44.06 1.27 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 133.24 51.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -78.93 135.22 36.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.566 HD21 ' O ' ' A' ' 77' ' ' TYR . 42.3 mt -88.59 133.4 34.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.953 ' HG2' HD21 ' A' ' 92' ' ' LEU . 1.3 tt0 -96.98 130.61 44.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.339 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.98 125.89 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.1 p -131.23 178.45 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.983 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.603 HD13 HG22 ' A' ' 112' ' ' VAL . 14.6 tp -134.17 108.14 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.04 137.36 42.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 96.4 m-20 59.61 17.93 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.5 t-20 74.89 22.33 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.3 t -116.06 140.48 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.603 HG22 HD13 ' A' ' 107' ' ' LEU . 75.0 t -99.16 136.0 32.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.49 152.96 48.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.542 HG13 HD21 ' A' ' 138' ' ' LEU . 6.6 p -134.82 110.82 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.518 HD22 HD22 ' A' ' 138' ' ' LEU . 22.3 m-20 68.75 30.75 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 74.05 27.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.654 ' OE1' HD23 ' A' ' 138' ' ' LEU . 5.1 mt-10 -118.99 142.79 32.61 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.2 Cg_endo -74.98 135.53 19.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 133' ' ' VAL . 53.5 t -91.45 151.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.82 -69.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -143.88 87.65 7.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.516 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.1 Cg_endo -75.03 177.61 8.37 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.511 1.795 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.42 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 7.1 t0 73.8 56.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.801 HD11 HG23 ' A' ' 133' ' ' VAL . 10.4 mt -109.34 92.76 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.3 mmt -67.07 132.96 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.02 -169.31 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.698 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -93.92 2.15 56.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.58 1.175 . . . . 0.0 110.411 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -175.6 49.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.0 -159.01 27.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.3 p -143.02 170.42 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.836 ' CG2' HG23 ' A' ' 11' ' ' VAL . 40.4 t -147.83 152.78 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.846 ' HE1' HG12 ' A' ' 85' ' ' VAL . 84.7 m-70 -138.64 102.02 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 0.0 109.599 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.801 HG23 HD11 ' A' ' 124' ' ' ILE . 98.2 t -59.89 126.95 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 136' ' ' ASN . 12.9 pt -105.0 165.82 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.563 ' HA ' HG23 ' A' ' 49' ' ' THR . 30.8 p -111.1 29.56 7.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.486 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.9 OUTLIER 175.42 147.61 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.423 HG23 ' HB1' ' A' ' 52' ' ' ALA . 93.3 t -74.27 127.66 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.654 HD23 ' OE1' ' A' ' 117' ' ' GLU . 23.8 mt -75.66 161.34 29.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -141.13 150.38 58.63 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.467 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.95 144.23 30.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.533 1.807 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.57 -179.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.033 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -48.09 157.31 0.91 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 175.7 10.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.83 -60.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 82.6 p -54.12 129.36 34.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.85 115.24 3.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -173.31 162.71 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.95 -176.24 22.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.07 92.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 109.989 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.39 117.29 19.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.74 -169.75 13.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mtm -154.57 -167.0 2.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 0.808 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.0 104.76 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.735 HG22 HG22 ' A' ' 127' ' ' THR . 3.2 p -68.48 155.26 40.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 110.418 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.671 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.71 -51.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.756 ' SD ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -56.79 -47.88 79.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.0 m-20 -62.28 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 t -49.24 -34.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.53 -41.33 55.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HG2' HG11 ' A' ' 25' ' ' VAL . 16.6 mttt -65.38 -46.73 78.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.3 -46.15 80.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.29 137.8 41.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -84.46 -41.07 16.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -42.25 -41.92 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -108.01 58.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -89.17 -45.48 9.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.963 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -36.87 80.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.578 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.2 tp -58.11 -55.43 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.576 HG11 ' HG2' ' A' ' 16' ' ' LYS . 44.2 t -44.12 -54.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.12 -46.76 4.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.852 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.32 -45.14 92.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.677 HG22 ' OG1' ' A' ' 34' ' ' THR . 26.6 mt -60.3 -57.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.42 -52.34 47.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -45.59 93.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.493 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -63.12 -33.14 74.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 86.14 41.12 7.19 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 75' ' ' LEU . 2.5 mt -109.13 -18.42 13.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.736 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.756 HG23 ' SD ' ' A' ' 12' ' ' MET . 9.9 m -49.95 -37.62 32.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.5 mt-10 -63.09 -58.39 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -49.03 -36.73 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 mt -81.5 -22.51 37.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' GLU . 2.9 t-20 -68.68 -32.84 72.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -78.71 141.95 37.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.74 155.11 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 149.67 -139.79 7.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -150.8 130.37 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.501 ' HB3' HG23 ' A' ' 79' ' ' ILE . 61.9 m-85 -156.95 117.91 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.1 m -85.44 102.05 13.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.415 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.641 HG13 HG13 ' A' ' 79' ' ' ILE . 2.7 t -104.82 157.25 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 95.2 m-85 -129.98 111.19 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.578 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -103.99 117.6 59.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.502 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -75.04 -172.51 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.503 1.791 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 p -91.71 -168.77 2.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -78.35 -52.54 8.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -14.26 27.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -65.68 -59.26 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 40.3 m-85 -58.79 -37.64 76.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -62.67 -26.51 68.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -66.16 -36.71 83.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.581 HD11 HG11 ' A' ' 137' ' ' VAL . 65.8 mt -52.69 151.78 7.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 174.08 13.41 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.27 -63.09 1.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.88 -43.48 49.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -53.84 -77.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' GLY . 3.8 t -44.8 -34.24 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -67.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.475 HD11 HG13 ' A' ' 74' ' ' ILE . 13.5 mt -57.0 -53.7 55.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.8 mt -60.71 -16.9 44.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -88.16 -92.57 1.04 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.64 142.47 57.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.98 -45.81 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.36 -57.76 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.19 -41.37 96.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.268 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.852 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -53.18 -69.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.493 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -46.65 -42.12 15.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -45.3 -55.44 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.475 HG13 HD11 ' A' ' 64' ' ' LEU . 27.8 mm -58.65 -51.35 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.8 mt -51.21 -47.14 62.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -53.87 -49.6 68.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.453 ' O ' HD21 ' A' ' 103' ' ' LEU . 63.5 t80 -69.44 -6.31 29.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.6 m80 -98.31 -21.26 16.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.649 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.813 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.0 mt -102.0 147.16 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.678 ' HA3' HD21 ' A' ' 95' ' ' LEU . . . -112.39 166.74 12.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -99.3 28.47 4.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -177.94 163.26 1.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.689 HD12 HG12 ' A' ' 130' ' ' VAL . 14.4 mm -88.88 131.35 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.452 ' C ' HD23 ' A' ' 84' ' ' LEU . 8.6 tt -130.01 119.52 23.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.96 159.57 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.5 p -71.4 59.25 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.91 52.22 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.16 66.39 1.08 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.632 HG23 ' CG2' ' A' ' 93' ' ' VAL . 19.7 mm -74.7 -115.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.575 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 170.4 -52.99 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -168.72 -69.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.464 HD11 ' HG2' ' A' ' 104' ' ' GLU . 3.2 tp -136.81 126.46 25.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.632 ' CG2' HG23 ' A' ' 89' ' ' ILE . 74.3 t -110.05 144.38 18.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -107.86 108.95 20.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.678 HD21 ' HA3' ' A' ' 80' ' ' GLY . 5.7 tt -93.54 133.71 36.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -88.42 109.75 20.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.7 t -86.37 175.2 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.56 -36.79 13.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -48.47 -32.25 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.87 -45.51 1.14 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.31 130.5 40.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 131.8 45.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.453 HD21 ' O ' ' A' ' 77' ' ' TYR . 10.9 mt -77.32 164.77 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.464 ' HG2' HD11 ' A' ' 92' ' ' LEU . 2.1 mt-10 -129.82 129.74 44.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 113' ' ' SER . 2.5 t -143.3 122.71 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 p -129.76 164.53 23.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.832 HD12 ' O ' ' A' ' 111' ' ' VAL . 26.7 tp -127.45 113.17 15.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.47 146.93 46.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.413 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 45.8 m-80 56.74 19.17 4.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 7.8 t-20 76.88 11.58 2.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.832 ' O ' HD12 ' A' ' 107' ' ' LEU . 5.8 t -108.54 146.62 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.82 HG22 HD13 ' A' ' 107' ' ' LEU . 66.5 t -96.56 135.3 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 105' ' ' VAL . 0.5 OUTLIER -127.84 149.25 50.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.051 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.649 HG13 HD21 ' A' ' 138' ' ' LEU . 9.9 p -134.72 110.76 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.717 HD22 HD22 ' A' ' 138' ' ' LEU . 47.9 m-20 67.78 31.24 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.37 34.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.41 142.87 44.22 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.39 20.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.031 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 133' ' ' VAL . 73.9 t -92.6 146.42 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.824 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -75.84 -64.61 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -149.23 88.63 5.02 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.483 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.93 174.22 13.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.462 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 0.1 OUTLIER 75.15 58.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.783 ' CD1' HG23 ' A' ' 133' ' ' VAL . 10.4 mt -110.43 93.08 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.81 125.39 26.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -106.9 -169.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.735 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -95.77 9.06 41.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.407 ' OD1' ' HA ' ' A' ' 10' ' ' THR . 14.4 p-10 -179.45 52.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.49 -158.72 27.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.689 HG12 HD12 ' A' ' 83' ' ' ILE . 4.1 p -141.89 170.0 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.715 HG12 HD12 ' A' ' 124' ' ' ILE . 39.5 t -148.78 151.97 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.59 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 87.1 m-70 -138.37 99.69 3.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.615 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.824 HG12 ' HB3' ' A' ' 120' ' ' ALA . 84.1 t -57.54 129.9 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.1 pt -107.59 171.2 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.524 HG22 ' HB2' ' A' ' 120' ' ' ALA . 39.4 p -117.31 26.44 9.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.399 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER -177.26 148.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.581 HG11 HD11 ' A' ' 56' ' ' LEU . 68.8 t -76.9 107.53 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.717 HD22 HD22 ' A' ' 115' ' ' ASN . 14.2 mt -55.89 160.88 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -141.84 152.61 62.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.94 125.67 9.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 28.6 t -47.96 -48.85 31.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -99.37 175.91 28.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.75 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 10.1 m 63.23 83.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.939 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 m -167.16 109.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 111.016 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.44 155.47 50.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.95 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.36 169.03 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.4 164.32 11.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -146.29 58.98 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 p -162.16 155.61 20.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.25 176.59 0.11 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttt -127.65 -159.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.86 123.5 0.66 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.956 HG22 ' OG1' ' A' ' 127' ' ' THR . 5.2 p -64.84 154.93 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 0.803 . . . . 0.0 110.419 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.95 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.02 -54.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.702 ' SD ' HG21 ' A' ' 28' ' ' ILE . 5.9 mmm -62.51 -49.55 74.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' LYS . 25.1 m-20 -55.18 -45.09 75.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -46.59 -28.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 47' ' ' ALA . 4.0 mt -87.92 -36.08 17.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.615 ' HG2' HG11 ' A' ' 25' ' ' VAL . 13.2 mttt -67.52 -37.16 82.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.51 -59.43 7.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -67.64 125.99 27.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -71.19 -32.97 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.19 -37.39 4.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.532 ' O ' HG23 ' A' ' 25' ' ' VAL . 5.6 m-85 -113.19 49.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 p -80.72 -52.37 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -45.88 67.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 9.8 tp -52.23 -55.88 18.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.707 ' HA ' HD12 ' A' ' 28' ' ' ILE . 55.4 t -41.23 -59.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -39.32 -39.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.733 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -61.25 -55.67 29.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 25' ' ' VAL . 3.4 mt -54.58 -51.39 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.18 -47.32 72.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -49.62 68.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB3' HD12 ' A' ' 75' ' ' LEU . . . -59.96 -32.7 71.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 82.54 46.47 6.41 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 36' ' ' THR . 4.0 mt -108.82 -14.52 14.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 38' ' ' ASN . 3.7 m -47.65 -61.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.434 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.45 -51.0 9.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 33' ' ' LEU . 1.1 m -51.07 -50.44 58.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.481 HD13 ' HG2' ' A' ' 12' ' ' MET . 8.1 mt -77.58 -9.49 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.2 t-20 -90.9 19.47 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -126.47 145.19 50.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -57.09 151.35 15.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.477 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 142.62 -128.93 3.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.525 1.14 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.488 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.1 m -153.39 131.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -154.22 115.97 4.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' GLY . 3.6 m -94.0 101.97 14.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.544 HG13 HG13 ' A' ' 79' ' ' ILE . 3.5 t -107.11 154.93 7.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 89.1 m-85 -126.93 113.27 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.703 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -105.94 116.95 58.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.1 Cg_endo -75.03 -174.18 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.489 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 12.3 p -98.62 -176.19 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -69.83 -43.89 71.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.64 -14.81 22.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.448 1.092 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -74.61 -67.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.56 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 70.6 m-85 -57.09 -29.11 63.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.88 -29.99 71.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.15 -41.32 64.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 56' ' ' LEU . 9.3 mt -43.42 135.68 3.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.02 174.65 12.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -16.48 20.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.815 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -82.49 -44.78 15.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.11 -19.65 53.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -67.32 -77.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -20.1 3.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -55.7 22.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.0 mt -84.59 -46.56 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 mt -61.16 -14.95 28.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -98.2 -86.72 1.86 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.85 131.26 50.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.21 -47.84 15.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -40.51 -59.02 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.86 -41.19 95.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.733 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -52.98 -67.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.67 -41.05 41.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -49.69 -47.97 49.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.7 mm -66.93 -49.6 72.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.838 ' O ' HD12 ' A' ' 79' ' ' ILE . 9.4 mt -52.93 -44.86 67.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.363 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -54.9 -45.82 74.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.424 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 84.5 t80 -72.76 -9.24 58.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.9 m80 -96.53 -18.93 19.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.63 143.89 13.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -112.52 156.03 15.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -97.42 41.22 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 0.805 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' HG2' HD21 ' A' ' 95' ' ' LEU . 2.3 pt-20 175.02 157.84 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.488 HG12 ' CG1' ' A' ' 42' ' ' VAL . 12.6 mm -92.83 125.1 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 2.7 tt -132.14 120.54 22.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.536 HG12 ' HE1' ' A' ' 132' ' ' HIS . 30.8 m -134.11 168.07 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.4 p -75.97 67.38 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -131.05 -58.32 0.09 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.93 63.53 0.58 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.578 HG22 ' N ' ' A' ' 90' ' ' GLY . 26.7 mm -73.82 -111.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.578 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 128.63 62.4 0.12 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 74.51 -71.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.88 HD13 ' N ' ' A' ' 93' ' ' VAL . 2.2 tm? -147.97 151.37 35.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.243 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.88 ' N ' HD13 ' A' ' 92' ' ' LEU . 42.4 t -143.66 145.34 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -105.15 104.51 14.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -88.92 111.9 22.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.493 ' N ' HD23 ' A' ' 95' ' ' LEU . 23.6 tttt -69.94 127.42 32.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.67 149.16 25.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 98' ' ' LEU . 7.2 mp -50.25 -47.09 55.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.424 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 59.5 tp60 -43.5 -37.7 2.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.254 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.11 -46.97 1.04 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.94 130.79 43.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 136.26 39.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.1 mt -92.6 143.46 26.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.861 ' HG2' HD21 ' A' ' 92' ' ' LEU . 1.1 tt0 -94.91 130.18 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -145.51 124.96 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.7 p -139.18 177.26 8.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 61.4 tp -129.1 108.61 10.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.36 136.55 39.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 59.76 18.6 7.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.8 t30 72.07 22.48 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.2 t -116.74 136.32 54.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.365 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.77 136.37 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -132.64 152.4 51.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.033 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.424 HG13 HD21 ' A' ' 138' ' ' LEU . 5.9 p -137.74 104.72 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.417 ' ND2' HD22 ' A' ' 138' ' ' LEU . 2.5 m-20 74.11 35.24 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 2.9 mtmp? 68.77 28.98 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.65 ' OE1' HD23 ' A' ' 138' ' ' LEU . 4.2 mt-10 -120.21 140.56 30.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.2 Cg_endo -74.98 134.32 17.7 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 133' ' ' VAL . 54.0 t -90.36 152.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.65 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -85.17 -71.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.427 ' O ' HD11 ' A' ' 124' ' ' ILE . 44.0 mt-10 -140.06 87.96 12.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -74.99 -177.91 3.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.5 65.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.86 HD11 HG23 ' A' ' 133' ' ' VAL . 29.1 mt -112.07 94.39 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.429 ' CE ' ' HA ' ' A' ' 125' ' ' MET . 7.0 mmt -56.76 133.33 54.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -121.47 -166.57 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.956 ' OG1' HG22 ' A' ' 10' ' ' THR . 29.8 p -82.43 -42.55 18.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.431 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -146.95 45.99 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.631 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 172.0 -167.13 40.1 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 85' ' ' VAL . 0.9 OUTLIER -136.45 170.21 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.95 ' CG2' HG23 ' A' ' 11' ' ' VAL . 15.4 t -148.69 144.2 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 79.3 m-70 -131.44 99.3 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.641 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.86 HG23 HD11 ' A' ' 124' ' ' ILE . 62.0 t -60.43 123.76 13.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.3 pt -100.76 170.55 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.65 HG22 ' HB2' ' A' ' 120' ' ' ALA . 70.0 p -115.83 24.25 11.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.624 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.9 OUTLIER -175.38 148.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.44 121.84 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.65 HD23 ' OE1' ' A' ' 117' ' ' GLU . 20.7 mt -72.29 162.09 29.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -143.88 148.58 42.95 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.466 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -75.02 172.59 16.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.74 100.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -166.03 -161.31 14.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -174.41 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.96 167.68 20.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 m -81.65 143.26 32.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.56 117.3 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.31 -58.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.76 82.17 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.11 164.89 36.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 110.011 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m -99.23 77.41 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.44 147.16 40.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.42 128.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.571 ' O ' HG21 ' A' ' 127' ' ' THR . . . -97.98 -135.59 8.82 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.565 1.165 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.526 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.7 OUTLIER -151.6 -166.15 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.39 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 1.061 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -47.3 -51.48 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.762 ' SD ' HD13 ' A' ' 28' ' ' ILE . 6.1 mmm -60.69 -63.87 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -47.28 -45.59 24.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 10' ' ' THR . 3.8 t -45.62 -31.81 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.475 HD22 ' CB ' ' A' ' 47' ' ' ALA . 9.8 mt -81.31 -38.56 26.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' HG2' HG11 ' A' ' 25' ' ' VAL . 1.4 mtpt -62.51 -46.28 89.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.06 -47.5 60.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -80.74 132.21 35.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 0.767 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.94 -35.28 57.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.1 -39.56 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -110.5 57.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -68.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 71.2 mtp -40.47 -38.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 12.4 tp -58.43 -58.55 8.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.866 ' HA ' HD12 ' A' ' 28' ' ' ILE . 22.4 t -42.68 -57.86 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.66 -44.69 4.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.913 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -56.42 -44.76 80.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 25' ' ' VAL . 7.1 mt -66.31 -50.94 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -50.54 -48.34 57.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -32.0 65.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.494 ' CB ' HD12 ' A' ' 75' ' ' LEU . . . -70.78 -29.26 65.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . 76.56 39.65 29.39 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mt -106.6 -19.26 13.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' ASN . 49.7 m -44.58 -57.15 3.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.384 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -48.11 62.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.03 -26.27 64.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.477 HD23 ' CG ' ' A' ' 43' ' ' TYR . 9.4 mt -102.34 -1.29 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -107.11 22.15 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -121.24 141.25 51.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -46.54 129.45 10.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.03 -140.86 7.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG1' HG12 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -148.57 137.99 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.356 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.477 ' CG ' HD23 ' A' ' 37' ' ' LEU . 91.7 m-85 -156.19 116.13 3.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.9 m -90.43 110.97 22.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 79' ' ' ILE . 8.7 t -115.57 157.79 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 91.9 m-85 -126.35 115.61 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -107.46 116.58 57.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.556 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.99 -177.28 3.36 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.599 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 2.9 p -93.15 172.25 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.404 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -61.83 -46.28 90.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -59.55 -22.84 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -64.15 -57.0 10.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 71.2 m-85 -64.06 -42.37 97.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -55.42 -20.67 12.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -80.17 -42.88 22.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.59 HD11 HG11 ' A' ' 137' ' ' VAL . 10.8 mt -44.31 140.85 2.82 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -74.97 173.57 14.27 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.518 1.799 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -8.43 20.02 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.491 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -91.28 -45.89 8.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.568 1.168 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.21 -17.33 59.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.1 OUTLIER -70.55 -75.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 66' ' ' GLY . 32.9 t -55.92 -24.76 39.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 1.4 mmm180 -59.35 -44.5 92.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.8 mt -96.01 -47.04 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.426 HD12 ' HG2' ' A' ' 61' ' ' ARG . 66.4 mt -60.73 -25.31 66.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -90.22 -76.93 1.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.65 129.06 38.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.51 -36.53 24.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.9 -56.18 17.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -62.86 -41.66 99.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.913 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -46.53 -69.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -47.01 -51.89 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' ALA . 5.0 t-20 -39.88 -46.73 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.9 mm -67.91 -52.2 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.494 HD12 ' CB ' ' A' ' 31' ' ' ALA . 6.3 mt -51.27 -54.73 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -44.85 -52.37 8.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.825 ' O ' HD11 ' A' ' 103' ' ' LEU . 79.6 t80 -63.24 -25.49 68.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.6 m80 -80.82 -20.91 41.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.565 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.579 HG12 HG22 ' A' ' 45' ' ' VAL . 3.9 mt -101.59 148.9 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -115.02 -175.49 18.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -120.82 33.27 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -179.96 161.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.736 HG23 ' HB ' ' A' ' 130' ' ' VAL . 5.2 mm -92.17 121.51 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 84' ' ' LEU . 8.8 tt -123.49 121.63 36.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.482 ' CG1' HG21 ' A' ' 130' ' ' VAL . 18.2 m -134.18 154.84 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.418 ' HB2' HD22 ' A' ' 107' ' ' LEU . 94.4 p -71.71 65.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -103.11 -41.06 2.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.72 80.73 0.18 Allowed Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.1 mm -104.7 103.68 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.29 -33.71 85.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -171.78 -68.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.248 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.84 HD13 ' N ' ' A' ' 93' ' ' VAL . 1.9 tm? -140.57 151.98 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.84 ' N ' HD13 ' A' ' 92' ' ' LEU . 43.1 t -137.03 145.45 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -108.15 106.13 16.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.541 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -90.58 115.38 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.541 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -68.84 126.12 28.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.9 p -91.81 178.07 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.2 mt -85.94 -22.34 27.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.458 ' HA ' ' NE2' ' A' ' 99' ' ' GLN . 14.8 tp60 -79.93 1.24 28.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 99.35 -46.04 1.48 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -63.38 144.68 56.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' CG ' ' HG3' ' A' ' 96' ' ' LYS . 1.3 mptt -99.29 125.77 44.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.825 HD11 ' O ' ' A' ' 77' ' ' TYR . 16.8 mt -76.81 155.97 32.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.749 ' HG2' HD21 ' A' ' 92' ' ' LEU . 2.5 mt-10 -109.55 132.39 54.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.41 ' O ' HD22 ' A' ' 92' ' ' LEU . 2.1 t -143.55 129.59 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.84 166.06 25.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.044 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.551 HD13 HG22 ' A' ' 112' ' ' VAL . 28.8 tp -121.12 111.41 17.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -135.68 137.54 41.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 90.2 m-20 60.5 18.72 8.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 3.9 t-20 76.22 11.58 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.5 t -109.81 139.93 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.551 HG22 HD13 ' A' ' 107' ' ' LEU . 88.3 t -96.58 143.76 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.58 153.0 51.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -136.67 104.45 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.501 HD22 HD22 ' A' ' 138' ' ' LEU . 5.7 m-20 74.21 35.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt 70.05 25.53 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.833 ' OE1' HD23 ' A' ' 138' ' ' LEU . 3.7 mt-10 -117.31 140.84 27.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -75.01 132.86 15.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 133' ' ' VAL . 93.8 t -91.2 158.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.555 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -89.46 -77.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -131.64 86.04 50.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.85 5.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 t0 69.41 60.21 0.31 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.75 HD12 HG12 ' A' ' 131' ' ' VAL . 19.5 mt -110.41 92.7 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.86 130.49 43.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -114.06 171.55 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.571 HG21 ' O ' ' A' ' 9' ' ' GLY . 58.6 p -71.59 -14.34 62.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.379 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.31 49.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.782 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 155.32 -173.04 33.56 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.736 ' HB ' HG23 ' A' ' 83' ' ' ILE . 4.5 p -131.48 170.21 20.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 1.061 ' CG2' HG23 ' A' ' 11' ' ' VAL . 26.1 t -148.48 153.6 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.587 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 53.5 m-70 -141.05 98.41 3.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.663 HG23 ' CD1' ' A' ' 124' ' ' ILE . 88.2 t -58.84 120.56 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.2 pt -99.18 171.49 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 120' ' ' ALA . 76.2 p -119.86 22.43 11.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.46 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.8 OUTLIER -169.33 147.64 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.59 HG11 HD11 ' A' ' 56' ' ' LEU . 67.2 t -75.74 114.41 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.833 HD23 ' OE1' ' A' ' 117' ' ' GLU . 17.0 mt -68.11 157.89 34.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -142.91 148.17 44.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.98 167.39 27.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.4 p -66.48 134.91 53.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 155.89 177.28 28.95 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.137 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 107.0 2.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 57.9 p -132.1 90.42 2.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.3 t 58.53 164.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.82 103.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 0.725 . . . . 0.0 109.982 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -176.51 151.43 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.09 136.46 3.35 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.5 OUTLIER -97.5 91.43 5.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.977 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER 79.61 -68.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.051 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.59 -64.44 3.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.18 127.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.22 97.15 0.38 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.43 1.081 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.672 HG22 HG22 ' A' ' 127' ' ' THR . 3.7 p -59.79 157.65 11.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.83 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.85 -53.48 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.748 ' SD ' HD13 ' A' ' 28' ' ' ILE . 8.3 mmm -57.9 -45.73 86.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -57.99 -41.54 83.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.6 -28.99 28.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 12' ' ' MET . 12.5 mt -81.34 -35.5 30.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.686 ' HG2' HG11 ' A' ' 25' ' ' VAL . 16.4 mttt -69.36 -46.14 67.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.6 -49.91 59.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -74.18 125.82 29.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.364 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -73.81 -33.62 64.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -48.81 -39.61 26.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -107.91 54.74 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.7 p -87.89 -61.41 1.72 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.953 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.56 -27.79 0.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 110.948 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.5 tp -67.56 -57.92 5.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.686 HG11 ' HG2' ' A' ' 16' ' ' LYS . 72.4 t -42.87 -52.26 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.16 -47.73 6.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.933 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.2 -46.58 88.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.748 HD13 ' SD ' ' A' ' 12' ' ' MET . 70.3 mt -63.43 -52.8 53.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.87 -43.42 69.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -43.87 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.13 72.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.43 40.14 7.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 mt -106.99 -16.98 14.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.422 ' OG1' HG22 ' A' ' 28' ' ' ILE . 3.3 m -48.23 -36.82 14.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -55.89 8.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -55.14 -21.55 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.5 mt -103.58 8.06 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.83 18.62 15.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -115.45 148.77 39.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -61.47 114.98 3.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.08 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.07 -137.78 4.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.8 m -148.18 135.78 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -156.14 117.09 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 m -92.13 105.02 17.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG13 HG13 ' A' ' 79' ' ' ILE . 3.5 t -108.87 157.4 9.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 72.8 m-85 -126.81 112.86 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.506 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.87 116.37 59.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -74.97 -170.8 0.83 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.531 1.806 . . . . 0.0 111.053 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 2.6 p -94.28 -177.94 4.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -69.83 -48.54 58.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.92 -26.74 64.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -57.93 -59.91 4.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.532 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 50.0 m-85 -60.61 -39.04 86.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -61.27 -22.32 64.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -73.34 -39.48 65.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.3 mt -45.89 146.16 2.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -2.46 12.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.5 -61.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.09 -42.21 63.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -55.91 -72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -49.24 -22.89 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -69.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 HG13 ' A' ' 74' ' ' ILE . 14.7 mt -56.18 -54.51 44.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.73 -20.96 62.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.07 -88.8 0.88 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.79 138.62 58.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.246 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.01 -44.35 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.76 -62.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.23 -33.09 67.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.933 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -61.51 -70.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.18 -36.47 19.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -50.71 -54.44 23.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.435 HG13 HD11 ' A' ' 64' ' ' LEU . 31.9 mm -61.24 -52.62 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.837 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.1 mt -50.57 -45.82 57.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -54.52 -50.75 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.426 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 81.2 t80 -70.68 -4.39 23.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 3.2 m80 -101.12 -19.77 15.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.586 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.82 146.51 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -114.81 154.01 17.26 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 111.047 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.493 ' CG ' ' CD1' ' A' ' 98' ' ' LEU . 5.7 m-20 -94.19 41.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 172.96 160.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.568 HG23 ' CG1' ' A' ' 130' ' ' VAL . 4.4 mm -89.41 136.53 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.649 ' C ' HD23 ' A' ' 84' ' ' LEU . 5.4 tt -139.35 119.76 13.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.539 ' CG1' HG21 ' A' ' 130' ' ' VAL . 15.9 m -137.75 157.01 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.5 p -75.17 57.19 0.84 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.935 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -107.03 54.8 0.55 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.71 63.43 0.89 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.658 HG23 ' CG2' ' A' ' 93' ' ' VAL . 24.1 mm -71.05 -118.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.77 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.544 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 169.88 -52.86 0.2 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -163.23 -56.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 0.805 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.884 HD22 ' H ' ' A' ' 93' ' ' VAL . 1.7 tm? -148.56 147.0 28.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.884 ' H ' HD22 ' A' ' 92' ' ' LEU . 90.8 t -133.43 120.37 38.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 mtm-85 -92.96 117.76 30.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.535 HD23 ' N ' ' A' ' 96' ' ' LYS . 1.6 tt -103.84 116.99 33.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.535 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -73.07 110.65 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.89 154.11 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.535 ' N ' HD12 ' A' ' 98' ' ' LEU . 5.2 mp -63.2 -32.0 73.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.426 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -56.28 -33.57 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.21 -47.03 1.04 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.53 127.96 34.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.79 134.16 44.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 25.2 mt -88.4 136.73 32.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.735 ' HG2' HD21 ' A' ' 92' ' ' LEU . 1.9 mt-10 -93.53 130.0 39.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.455 ' O ' HD22 ' A' ' 92' ' ' LEU . 2.5 t -144.48 124.04 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 p -134.32 174.12 10.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 24.0 tp -128.05 112.14 14.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -137.79 139.75 40.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 10.7 t-20 58.03 17.57 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER 75.92 19.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.8 t -114.16 148.53 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.9 t -108.32 140.63 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.9 OUTLIER -136.1 153.47 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.642 HG13 HD21 ' A' ' 138' ' ' LEU . 3.1 p -135.72 116.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.446 HD22 HD22 ' A' ' 138' ' ' LEU . 77.4 m-20 64.15 26.71 13.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.32 35.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 113' ' ' SER . 1.6 mt-10 -126.53 142.73 43.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.09 19.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 133' ' ' VAL . 59.7 t -93.77 146.85 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.703 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -78.39 -65.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.568 ' O ' HD11 ' A' ' 124' ' ' ILE . 9.0 mt-10 -146.86 89.16 5.75 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.5 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.2 Cg_endo -74.98 -177.5 3.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.805 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.431 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 9.3 m-20 63.91 65.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.739 ' CD1' HG23 ' A' ' 133' ' ' VAL . 13.1 mt -116.76 93.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.55 125.19 24.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -105.8 -170.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.672 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -94.74 10.65 34.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.401 ' OD1' ' HA ' ' A' ' 10' ' ' THR . 10.4 p-10 176.03 49.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 149.73 -157.17 27.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.568 ' CG1' HG23 ' A' ' 83' ' ' ILE . 9.9 p -142.23 170.1 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.83 ' CG2' HG23 ' A' ' 11' ' ' VAL . 29.3 t -148.83 150.77 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.606 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 84.7 m-70 -139.11 96.86 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.739 HG23 ' CD1' ' A' ' 124' ' ' ILE . 67.7 t -56.99 127.74 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -105.75 170.58 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.597 HG22 ' HB2' ' A' ' 120' ' ' ALA . 13.7 p -115.23 23.9 12.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.55 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -178.1 142.85 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.59 124.96 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.642 HD21 HG13 ' A' ' 114' ' ' VAL . 21.3 mt -73.62 162.49 29.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -141.23 153.99 67.09 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -178.94 4.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.0 t -41.69 124.79 2.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 157.39 164.03 13.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.85 5.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.0 p -177.12 128.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.5 t -50.29 -58.41 5.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 p -94.93 102.29 14.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.78 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -90.82 -58.36 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.5 118.54 0.44 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -176.84 147.25 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -79.27 -55.99 4.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.99 176.2 50.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttm -129.71 -160.1 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.764 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.62 ' O ' HG21 ' A' ' 127' ' ' THR . . . -178.86 -127.86 1.13 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.418 HG23 ' C ' ' A' ' 9' ' ' GLY . 80.5 p -150.92 176.88 10.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.363 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.998 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -40.69 -51.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.71 ' HG2' HD13 ' A' ' 37' ' ' LEU . 1.9 mmm -61.33 -62.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' LYS . 1.8 t0 -46.99 -44.17 19.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 11' ' ' VAL . 2.8 t -47.34 -36.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.485 HD22 ' CB ' ' A' ' 47' ' ' ALA . 7.9 mt -74.63 -34.24 62.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.573 ' HA ' HG21 ' A' ' 25' ' ' VAL . 3.8 mtpt -64.37 -36.67 84.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.31 -55.7 28.67 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.58 133.25 46.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -77.86 -35.34 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -45.27 -42.95 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -103.72 49.52 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.1 m -80.97 -67.49 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.2 mtp -40.55 -37.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.616 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.3 tp -60.37 -52.31 65.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.573 HG21 ' HA ' ' A' ' 16' ' ' LYS . 8.0 t -46.77 -59.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -40.09 -43.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -56.48 -60.7 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.677 HG13 HD13 ' A' ' 75' ' ' LEU . 3.2 mt -49.44 -55.87 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -46.55 52.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -47.25 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.14 -33.23 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.63 36.99 9.87 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 mt -100.31 -22.47 15.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.8 m -44.8 -57.19 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -43.24 -58.17 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -49.13 -54.47 16.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.419 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.71 HD13 ' HG2' ' A' ' 12' ' ' MET . 5.4 mt -69.57 -9.1 52.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.9 t-20 -81.76 -23.44 36.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -87.39 146.27 25.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.77 151.29 14.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.514 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 150.25 -135.08 5.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 41' ' ' GLY . 2.4 m -154.53 130.68 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -156.31 117.39 3.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 m -88.83 107.11 18.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.568 HG13 HG13 ' A' ' 79' ' ' ILE . 5.4 t -109.65 157.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.596 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 94.3 m-85 -127.71 113.7 16.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.497 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -106.59 116.56 58.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.554 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.1 Cg_endo -75.0 -176.83 3.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 p -86.57 -171.9 3.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.66 -44.65 27.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.31 -25.61 68.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.632 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . -55.02 -64.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.554 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 51.5 m-85 -54.49 -50.39 67.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -23.9 3.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -70.36 -32.8 70.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.5 mt -57.14 149.52 45.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.85 13.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.543 1.812 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.26 -61.4 1.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.16 -44.39 64.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' C ' ' N ' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -54.93 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -43.97 -27.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.417 ' N ' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -69.53 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.26 -50.01 73.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.2 mt -64.09 -16.56 62.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -92.47 -88.61 1.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.29 136.85 58.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -82.85 -47.12 12.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -61.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -28.87 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.794 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -62.32 -66.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.13 -41.16 62.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -46.41 -48.54 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.469 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 31.0 mm -67.69 -56.91 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.698 ' O ' HD12 ' A' ' 79' ' ' ILE . 5.7 mt -45.55 -50.4 13.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -49.28 -52.74 25.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.663 ' O ' HD21 ' A' ' 103' ' ' LEU . 92.9 t80 -64.63 -19.05 65.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -86.47 -20.7 27.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.4 mt -102.09 143.66 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.43 170.76 13.66 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -112.64 48.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HG2' HD21 ' A' ' 95' ' ' LEU . 2.1 pt-20 170.94 156.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.71 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.8 mm -92.05 108.13 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 84' ' ' LEU . 6.8 tt -120.31 121.99 39.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.223 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.789 HG12 ' HE1' ' A' ' 132' ' ' HIS . 25.6 m -136.71 171.27 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 p -72.42 59.14 0.42 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.4 70.49 0.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.24 50.17 0.73 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.61 HG22 ' N ' ' A' ' 90' ' ' GLY . 9.5 mm -74.2 -112.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 0.802 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.61 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 134.71 59.53 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 75.98 -70.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.818 HD13 ' N ' ' A' ' 93' ' ' VAL . 1.8 tm? -147.98 151.6 36.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.818 ' N ' HD13 ' A' ' 92' ' ' LEU . 17.7 t -141.38 147.89 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.83 106.41 16.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -88.66 115.84 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.564 ' N ' HD23 ' A' ' 95' ' ' LEU . 35.2 tttt -69.3 122.87 19.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.0 t -98.87 -178.53 3.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 mt -88.73 -45.92 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -48.84 -30.49 5.83 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 129.01 -46.23 1.09 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.39 132.28 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.62 133.58 35.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.663 HD21 ' O ' ' A' ' 77' ' ' TYR . 8.3 mt -85.01 134.14 34.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.553 ' HG3' HD21 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -91.29 130.22 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 t -137.31 125.41 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 p -135.47 178.07 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 111' ' ' VAL . 45.2 tp -135.08 106.51 6.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -129.55 138.27 51.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 15.9 t30 59.98 18.33 7.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 19.3 t30 76.8 14.6 2.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.557 ' O ' HD12 ' A' ' 107' ' ' LEU . 15.7 t -109.83 150.52 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.2 t -104.17 145.82 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.89 150.76 43.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.489 HG13 HD21 ' A' ' 138' ' ' LEU . 3.4 p -136.71 105.8 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.445 HD22 HD22 ' A' ' 138' ' ' LEU . 7.6 m-20 73.97 32.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 71.89 29.04 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.645 ' OE1' HD23 ' A' ' 138' ' ' LEU . 2.6 mt-10 -120.67 140.03 29.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -75.01 135.1 18.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 133' ' ' VAL . 98.8 t -94.08 158.2 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.572 ' HB2' ' CG2' ' A' ' 135' ' ' THR . . . -87.29 -79.52 0.28 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.509 ' O ' HD11 ' A' ' 124' ' ' ILE . 2.6 mm-40 -127.75 85.96 59.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 123' ' ' ASP . 18.4 Cg_endo -74.96 172.95 15.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 8.7 t0 75.92 56.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.77 ' CD1' HG23 ' A' ' 133' ' ' VAL . 14.5 mt -109.84 92.66 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.92 131.22 42.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -109.31 -176.57 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.62 HG21 ' O ' ' A' ' 9' ' ' GLY . 3.9 p -79.85 -10.4 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.404 ' OD1' ' HB ' ' A' ' 10' ' ' THR . 5.9 p-10 -164.82 51.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 150.47 -167.8 30.31 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.71 ' HB ' HG23 ' A' ' 83' ' ' ILE . 1.8 p -133.55 170.4 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.998 ' CG2' HG23 ' A' ' 11' ' ' VAL . 30.2 t -147.51 156.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.789 ' HE1' HG12 ' A' ' 85' ' ' VAL . 81.3 m-70 -143.95 99.03 3.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.417 1.073 . . . . 0.0 109.614 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.77 HG23 ' CD1' ' A' ' 124' ' ' ILE . 90.6 t -59.82 122.0 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.3 pt -100.48 171.08 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.368 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.572 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 40.7 p -119.09 21.98 12.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.404 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.2 OUTLIER -172.43 138.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 89.8 t -66.68 121.6 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.645 HD23 ' OE1' ' A' ' 117' ' ' GLU . 16.8 mt -72.26 164.81 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -141.77 157.66 64.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.469 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -74.98 152.72 41.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.793 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -53.91 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 78.83 175.15 45.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -46.33 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 18.6 m -109.62 128.75 55.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.1 p -169.78 96.91 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.038 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 m -162.26 168.11 22.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 0.795 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -162.74 158.75 23.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.74 -179.33 20.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -129.03 106.51 8.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -166.15 165.84 17.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.7 -171.93 0.76 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtt -148.22 -164.7 2.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.73 ' O ' HG23 ' A' ' 14' ' ' VAL . . . 91.89 94.24 1.36 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 11' ' ' VAL . 2.9 p -43.1 155.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 110.42 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.982 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.1 OUTLIER -36.61 -53.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.708 ' SD ' HD13 ' A' ' 28' ' ' ILE . 7.7 mmm -58.87 -51.86 68.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.92 -45.11 67.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 9' ' ' GLY . 2.1 t -50.0 -25.63 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.666 HD22 ' CB ' ' A' ' 47' ' ' ALA . 5.7 mt -88.94 -35.32 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HA ' HG21 ' A' ' 25' ' ' VAL . 6.4 mtpt -70.92 -36.06 72.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.55 -43.13 98.5 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.05 129.96 34.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -73.71 -29.78 62.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.46 -41.83 53.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . 7.9 m-85 -104.17 51.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 p -82.24 -66.23 0.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 78.5 mtp -40.44 -42.73 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 12.1 tp -56.43 -57.88 10.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 21' ' ' PHE . 36.7 t -41.01 -56.11 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.98 -49.78 11.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.364 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.886 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -49.73 -51.14 41.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.708 HD13 ' SD ' ' A' ' 12' ' ' MET . 68.3 mt -64.11 -62.08 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.71 -41.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -44.14 51.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . -61.67 -30.36 70.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.67 31.64 29.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -93.57 -20.99 19.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.476 ' OG1' HG22 ' A' ' 28' ' ' ILE . 17.4 m -43.69 -62.95 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.3 -61.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 m -45.43 -60.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD21 HG21 ' A' ' 79' ' ' ILE . 16.4 mt -62.75 -13.87 37.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.1 m-20 -91.54 21.24 4.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -127.91 143.38 51.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -55.48 139.08 44.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.51 -139.0 6.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 HG12 ' A' ' 83' ' ' ILE . 3.7 m -143.41 130.23 17.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.489 ' H ' HD11 ' A' ' 83' ' ' ILE . 63.6 m-85 -156.44 116.11 3.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.3 m -93.96 100.83 12.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.743 HG13 HG13 ' A' ' 79' ' ' ILE . 3.1 t -102.82 156.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.606 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 81.0 m-85 -129.23 110.76 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.666 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -104.01 116.68 61.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.3 Cg_endo -75.0 -163.18 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -101.04 -163.14 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -82.88 -50.65 8.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.35 -11.46 42.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -68.91 -48.07 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 31.1 m-85 -68.3 -45.31 73.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -51.01 -25.18 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -66.75 -37.76 85.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.767 HD11 HG11 ' A' ' 137' ' ' VAL . 35.1 mt -53.64 150.0 14.39 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 18.4 Cg_endo -74.94 162.04 37.91 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.92 7.23 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.496 ' O ' ' CD ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -97.91 -33.69 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.568 ' OE2' HD22 ' A' ' 56' ' ' LEU . 1.2 tt0 -94.8 -29.62 14.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.352 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -50.41 -73.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.8 t -55.36 -45.34 76.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -44.29 -63.95 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.04 -50.31 66.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.97 -14.92 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -96.0 -87.83 1.78 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.68 128.64 37.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -81.77 -44.99 16.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.18 -57.98 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.65 -27.56 69.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.886 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.1 tt -67.03 -70.0 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.26 -35.22 5.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -55.27 -51.13 67.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 20.6 mm -63.48 -45.75 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.656 HD13 HG12 ' A' ' 28' ' ' ILE . 18.2 mt -58.58 -42.58 88.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -52.61 -49.71 64.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.789 ' O ' HD21 ' A' ' 103' ' ' LEU . 86.8 t80 -66.09 -17.2 64.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 13.8 m80 -89.9 -24.28 21.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.609 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.743 HG13 HG13 ' A' ' 45' ' ' VAL . 3.7 mt -101.52 144.06 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.22 174.79 16.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -111.37 38.88 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.541 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.7 pt-20 173.45 157.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.596 HD12 HG12 ' A' ' 130' ' ' VAL . 10.1 mm -89.58 130.52 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.685 ' C ' HD23 ' A' ' 84' ' ' LEU . 3.0 tt -136.63 119.71 16.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.654 ' N ' HD23 ' A' ' 84' ' ' LEU . 19.6 m -136.42 152.78 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.528 ' HB2' HD22 ' A' ' 107' ' ' LEU . 16.3 p -68.57 65.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.957 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 85' ' ' VAL . . . -121.0 53.17 0.71 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.81 57.11 0.58 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.715 HG23 ' CG2' ' A' ' 93' ' ' VAL . 19.2 mm -76.34 -120.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.517 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 169.85 -49.3 0.21 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -166.33 -54.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 0.763 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 93' ' ' VAL . 2.0 tm? -148.37 149.67 32.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.776 ' N ' HD13 ' A' ' 92' ' ' LEU . 99.5 t -136.32 120.88 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.357 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -88.49 117.59 27.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.652 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -107.53 124.94 50.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.652 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -77.93 128.28 33.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 p -99.45 178.85 4.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.0 mt -86.85 -33.21 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -18.85 57.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.337 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 113.83 -37.42 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.24 141.36 43.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.93 123.79 35.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.789 HD21 ' O ' ' A' ' 77' ' ' TYR . 3.0 mt -78.32 141.63 38.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.562 ' HG2' HD21 ' A' ' 92' ' ' LEU . 3.1 mt-10 -97.08 132.43 42.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.487 ' O ' HD22 ' A' ' 92' ' ' LEU . 3.0 t -139.04 122.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 p -133.24 167.93 19.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.595 HD13 HG22 ' A' ' 112' ' ' VAL . 21.3 tp -123.6 111.76 16.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -135.28 138.31 43.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 4.6 m120 58.94 18.72 6.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 1.4 t-20 75.81 16.47 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.5 t -111.18 141.47 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.595 HG22 HD13 ' A' ' 107' ' ' LEU . 87.8 t -97.97 141.43 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 117' ' ' GLU . 0.7 OUTLIER -135.44 154.86 51.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 115' ' ' ASN . 5.2 p -137.38 104.12 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.723 HD22 HD22 ' A' ' 138' ' ' LEU . 5.9 m-20 76.95 33.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.1 mttp 71.34 24.97 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.479 ' OE1' HD23 ' A' ' 138' ' ' LEU . 2.2 mt-10 -116.87 140.87 27.43 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -74.98 133.1 16.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 133' ' ' VAL . 71.0 t -87.8 156.26 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.608 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -86.99 -73.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.503 ' O ' HD11 ' A' ' 124' ' ' ILE . 1.8 mt-10 -137.79 86.84 17.72 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.153 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.51 1.795 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 t70 74.13 55.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.711 ' CD1' HG23 ' A' ' 133' ' ' VAL . 11.1 mt -110.85 92.84 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 1.5 mmt -73.02 137.61 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.4 -166.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.434 ' OG1' HG22 ' A' ' 10' ' ' THR . 9.7 p -85.99 -2.85 58.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -178.89 44.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.239 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 166.82 -170.72 41.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.596 HG12 HD12 ' A' ' 83' ' ' ILE . 1.1 p -135.93 169.97 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.982 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.5 t -148.85 151.09 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.606 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 86.5 m-70 -138.28 96.78 3.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.625 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.711 HG23 ' CD1' ' A' ' 124' ' ' ILE . 86.5 t -56.75 124.55 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.1 pt -101.98 170.75 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.546 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 35.4 p -119.79 36.57 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.462 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.443 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.7 OUTLIER 172.82 150.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.767 HG11 HD11 ' A' ' 56' ' ' LEU . 71.9 t -75.96 120.54 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.723 HD22 HD22 ' A' ' 115' ' ' ASN . 15.7 mt -73.53 160.53 31.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -137.11 150.32 68.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.2 Cg_endo -75.01 123.03 7.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.445 1.76 . . . . 0.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.47 113.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -80.78 157.05 39.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 94.75 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.4 94.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.77 112.46 5.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 110.037 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -134.18 -58.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.4 p -134.45 150.2 50.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.45 -144.67 4.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.77 82.01 1.62 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 0.775 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.04 -51.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.97 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.14 155.84 50.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.3 mtt 62.4 126.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 110.957 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.3 102.66 0.62 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.86 HG22 HG22 ' A' ' 127' ' ' THR . 18.0 p -72.46 168.93 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 0.785 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.825 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -37.64 -56.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.697 ' SD ' HD13 ' A' ' 28' ' ' ILE . 10.5 mmm -49.22 -51.99 29.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -55.48 -50.7 69.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 t -45.25 -26.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 12' ' ' MET . 12.0 mt -84.81 -41.52 16.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.933 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.9 mttt -58.79 -50.03 75.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.33 -45.31 65.42 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.12 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -74.65 128.21 34.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -74.39 -45.93 43.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -39.76 -40.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -108.42 54.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.79 -61.11 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.57 -22.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 10.6 tp -70.4 -58.14 4.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.933 HG11 ' HG2' ' A' ' 16' ' ' LYS . 86.8 t -43.18 -51.23 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.1 -42.86 9.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.922 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -59.92 -54.8 41.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.828 HD12 ' HA ' ' A' ' 25' ' ' VAL . 3.9 mt -53.47 -54.65 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -56.47 9.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -44.42 95.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.08 71.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.73 38.31 8.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mt -104.47 -26.96 12.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.582 HG22 ' ND2' ' A' ' 38' ' ' ASN . 16.5 m -40.56 -50.97 2.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.7 mm-40 -49.25 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -47.41 -53.94 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.54 -15.83 63.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.582 ' ND2' HG22 ' A' ' 34' ' ' THR . 3.9 m-20 -90.57 18.12 6.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -122.33 140.95 52.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.39 140.4 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 153.56 -134.68 4.48 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.457 1.098 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG1' HG12 ' A' ' 83' ' ' ILE . 7.3 m -151.5 130.97 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -156.02 116.86 3.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 80' ' ' GLY . 17.8 m -92.04 109.81 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 79' ' ' ILE . 3.6 t -112.24 157.76 12.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 92.1 m-85 -127.86 113.79 16.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.485 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -105.64 116.88 59.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.486 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.2 Cg_endo -75.05 177.47 8.56 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 23.0 p -81.2 -176.45 5.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -73.65 -49.24 26.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -14.79 34.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -67.42 -54.75 17.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 67.0 m-85 -64.57 -46.15 84.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -51.69 -25.09 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -70.82 -45.99 63.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 HG11 ' A' ' 137' ' ' VAL . 13.8 mt -44.12 138.22 3.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -75.01 174.75 12.26 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -13.17 21.62 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.94 -39.89 15.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.3 -16.94 38.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HG2' ' CD1' ' A' ' 65' ' ' LEU . 3.8 mtp180 -67.6 -77.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.1 t -54.09 -21.92 9.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.03 -46.41 85.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.3 mt -97.26 -46.74 6.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 25.7 mt -60.16 -28.7 68.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -87.59 -81.71 1.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.69 126.69 28.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.71 -47.56 30.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -40.77 -71.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.21 -33.41 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.922 HD21 ' HB1' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -56.56 -70.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.59 -37.09 26.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -52.24 -48.06 65.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 25.8 mm -67.79 -51.25 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 79' ' ' ILE . 8.9 mt -52.07 -45.05 64.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -53.28 -53.94 43.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -66.7 -8.41 27.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 4.9 m80 -96.8 -20.34 18.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.609 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.3 mt -101.43 145.69 11.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -113.14 162.06 12.48 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -104.44 44.85 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 0.729 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.452 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.9 pt-20 171.5 159.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.47 HG12 ' CG1' ' A' ' 42' ' ' VAL . 3.3 mm -89.74 131.98 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.64 HD11 ' CG1' ' A' ' 93' ' ' VAL . 4.4 tt -134.31 119.64 18.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 m -127.38 153.83 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.455 ' HA ' ' CG1' ' A' ' 89' ' ' ILE . 1.1 t -63.83 -14.45 53.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.83 47.72 3.21 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.575 1.172 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 157.98 45.08 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.591 HG22 ' N ' ' A' ' 90' ' ' GLY . 9.1 mm -83.48 -113.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.591 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 129.7 62.04 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 75.53 -71.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -148.08 150.77 34.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 84' ' ' LEU . 4.5 t -141.49 149.61 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.1 mtm-85 -114.89 107.36 15.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 96' ' ' LYS . 2.0 tt -88.49 120.6 30.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.516 ' N ' HD23 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -78.76 109.65 13.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.3 t -84.59 155.71 21.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 98' ' ' LEU . 5.1 mp -62.44 -39.42 93.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -35.91 26.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.84 -46.61 1.07 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.03 130.0 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' CG ' ' HG3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -75.3 133.75 41.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.34 134.61 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.74 130.1 36.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -142.96 125.02 12.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 p -140.7 167.94 20.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.022 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.478 HD13 HG22 ' A' ' 112' ' ' VAL . 24.1 tp -121.41 112.88 19.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -136.61 136.67 39.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.405 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.0 m120 59.39 19.22 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 3.3 t30 75.01 17.3 2.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.8 t -114.21 139.53 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.478 HG22 HD13 ' A' ' 107' ' ' LEU . 71.4 t -100.01 146.1 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.82 154.95 46.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.407 HG22 ' ND2' ' A' ' 115' ' ' ASN . 4.4 p -136.59 130.72 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.528 HD22 HD22 ' A' ' 138' ' ' LEU . 36.3 m-20 52.8 24.48 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.48 41.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.562 ' OE2' HD23 ' A' ' 138' ' ' LEU . 2.5 mt-10 -133.52 146.81 62.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.09 19.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.535 1.808 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 133' ' ' VAL . 73.1 t -94.54 151.13 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.683 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -82.6 -68.99 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.512 ' O ' HD11 ' A' ' 124' ' ' ILE . 2.0 mt-10 -144.58 87.67 7.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.498 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.5 Cg_endo -74.97 179.5 6.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.401 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 6.6 t0 74.11 58.94 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.348 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.72 ' CD1' HG23 ' A' ' 133' ' ' VAL . 11.1 mt -116.36 93.05 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.93 130.46 39.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.403 ' HB1' ' N ' ' A' ' 11' ' ' VAL . . . -104.18 -166.57 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.86 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -87.11 -1.99 58.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -174.62 45.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 161.22 -163.62 34.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.466 ' HB ' HG23 ' A' ' 83' ' ' ILE . 1.4 p -138.18 170.26 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.345 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.825 ' CG2' HG23 ' A' ' 11' ' ' VAL . 19.6 t -148.35 153.46 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.594 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 81.6 m-70 -141.16 101.82 4.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.72 HG23 ' CD1' ' A' ' 124' ' ' ILE . 93.9 t -59.99 127.51 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.2 pt -106.08 170.89 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.455 HG22 ' HB2' ' A' ' 120' ' ' ALA . 68.9 p -118.16 36.03 4.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.44 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.589 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.9 OUTLIER 174.67 154.17 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.586 HG11 HD11 ' A' ' 56' ' ' LEU . 88.5 t -82.02 109.58 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 19.2 mt -60.3 161.58 7.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -140.07 155.75 70.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.463 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.97 177.63 8.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -61.72 1.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 70.17 -166.95 49.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.06 34.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.39 146.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.8 t 64.77 82.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.443 1.089 . . . . 0.0 110.982 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -168.02 109.56 0.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 0.749 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 m -161.73 105.86 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.86 -165.09 10.15 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m 64.83 168.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 0.801 . . . . 0.0 109.967 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.5 t -96.59 78.6 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.41 169.05 5.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.563 1.164 . . . . 0.0 111.046 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 mtt -164.12 122.93 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 0.751 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.604 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -136.41 112.06 0.92 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 1.021 HG22 ' OG1' ' A' ' 127' ' ' THR . 26.1 p -65.32 173.63 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 110.429 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.9 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -36.96 -55.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.701 ' SD ' HD13 ' A' ' 28' ' ' ILE . 14.5 mmm -54.93 -62.81 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 16' ' ' LYS . 33.4 t0 -47.27 -50.1 22.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 9' ' ' GLY . 2.8 t -43.86 -30.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.567 HD22 ' CB ' ' A' ' 47' ' ' ALA . 11.8 mt -81.66 -42.67 19.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.824 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.4 mttt -58.13 -48.27 80.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.55 -52.09 47.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.16 125.52 28.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.95 -43.02 72.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.71 -37.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -113.98 55.25 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' N ' ' A' ' 23' ' ' MET . 4.6 p -89.0 -62.81 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.45 ' N ' ' OG ' ' A' ' 22' ' ' SER . 78.8 mtp -47.55 -25.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.591 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.9 tp -68.44 -54.24 18.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.824 HG11 ' HG2' ' A' ' 16' ' ' LYS . 70.7 t -44.69 -58.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.72 -44.13 2.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.767 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -57.23 -48.7 78.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 25' ' ' VAL . 4.8 mt -61.83 -64.86 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.08 -52.33 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -46.99 87.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.983 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -60.54 -33.16 72.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.74 41.31 7.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.491 ' HB2' HG23 ' A' ' 28' ' ' ILE . 9.0 mt -103.96 -21.63 13.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' ASN . 5.0 m -40.48 -65.39 0.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -38.47 -59.65 0.88 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -45.94 -60.9 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.6 mt -64.51 -11.96 39.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.2 OUTLIER -91.28 21.21 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -129.41 139.09 51.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -54.3 148.08 12.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.61 -130.53 3.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.587 HG12 HG12 ' A' ' 83' ' ' ILE . 5.5 m -148.19 130.22 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.68 ' H ' HD11 ' A' ' 83' ' ' ILE . 64.3 m-85 -156.46 115.65 3.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 m -93.71 102.73 14.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 79' ' ' ILE . 3.4 t -107.81 151.63 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 89.6 m-85 -124.42 114.01 18.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.567 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -106.35 117.1 58.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.488 ' HB2' ' CB ' ' A' ' 52' ' ' ALA . 18.3 Cg_endo -75.09 -175.52 2.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 52' ' ' ALA . 45.0 p -76.85 -169.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.342 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -82.97 -47.37 11.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.19 -15.41 62.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB1' ' HA ' ' A' ' 136' ' ' ASN . . . -57.28 -33.0 67.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -81.03 -44.27 18.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -53.93 -24.61 16.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.44 -38.5 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.537 HD11 HG21 ' A' ' 137' ' ' VAL . 87.9 mt -51.65 140.45 27.53 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.4 31.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.477 1.777 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 0.45 8.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.525 1.802 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.52 -40.95 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -95.61 -46.94 6.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -60.21 3.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' GLY . 1.3 t -51.18 -63.75 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -37.38 -59.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.247 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mt -44.46 -59.63 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.31 -25.74 67.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -78.35 -92.54 0.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.79 136.5 58.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.64 -46.28 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.17 -59.21 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.48 -36.63 74.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.767 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -58.0 -70.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.524 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -47.19 -34.15 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -54.44 -48.98 71.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.1 mm -66.58 -49.26 76.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 78' ' ' HIS . 12.9 mt -54.24 -50.9 66.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.5 mttt -45.7 -51.22 12.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.885 ' O ' HD11 ' A' ' 103' ' ' LEU . 88.3 t80 -64.34 -24.06 67.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 11.1 m80 -81.8 -21.69 37.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.592 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.517 HG13 HG13 ' A' ' 45' ' ' VAL . 4.2 mt -101.3 142.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -112.59 170.05 13.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -106.35 41.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 173.04 158.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.68 HD11 ' H ' ' A' ' 43' ' ' TYR . 16.6 mm -93.54 123.14 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 84' ' ' LEU . 9.0 tt -130.14 119.69 23.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.788 ' O ' HD11 ' A' ' 89' ' ' ILE . 18.6 m -131.15 165.86 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.8 p -73.56 63.04 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.0 68.21 0.41 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.28 50.69 0.3 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.788 HD11 ' O ' ' A' ' 85' ' ' VAL . 0.7 OUTLIER -106.87 104.18 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.98 -35.81 70.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.54 -59.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 109.241 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.442 HD11 ' HG2' ' A' ' 104' ' ' GLU . 0.7 OUTLIER -146.42 149.14 33.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.349 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 40.8 t -136.87 151.13 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -108.92 106.75 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -94.9 115.29 27.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.57 ' N ' HD23 ' A' ' 95' ' ' LEU . 33.5 tttt -71.79 126.01 28.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.5 p -91.81 146.59 23.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 98' ' ' LEU . 6.5 mp -56.1 -31.25 63.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -62.93 -27.3 69.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.71 -47.15 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.34 141.01 57.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.76 126.17 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.885 HD11 ' O ' ' A' ' 77' ' ' TYR . 16.8 mt -81.81 152.77 26.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.442 ' HG2' HD11 ' A' ' 92' ' ' LEU . 2.6 mt-10 -106.16 130.15 54.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 t -141.54 128.17 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 p -140.75 171.99 13.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.023 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.1 tp -128.51 106.08 8.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.25 141.84 49.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 33.0 t30 56.07 19.07 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 12.3 t30 75.72 14.31 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.3 t -107.13 150.15 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 98.9 t -111.83 135.88 49.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.24 148.23 52.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.4 p -131.88 105.91 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.576 HD22 HD22 ' A' ' 138' ' ' LEU . 9.3 m-20 73.88 29.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.334 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 73.83 27.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -120.06 143.85 36.37 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.334 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 133.08 16.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 133' ' ' VAL . 79.2 t -89.51 151.06 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.657 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -79.42 -67.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.425 ' O ' HD11 ' A' ' 124' ' ' ILE . 3.0 mt-10 -148.46 86.71 5.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.528 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.4 Cg_endo -74.95 175.64 10.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 3.3 t70 77.69 59.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.806 HD11 HG23 ' A' ' 133' ' ' VAL . 12.3 mt -115.53 92.22 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 65.6 mmm -65.43 141.6 58.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -122.84 175.01 6.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 1.021 ' OG1' HG22 ' A' ' 10' ' ' THR . 34.1 p -59.59 -29.75 68.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.424 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.65 43.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.545 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 176.96 -172.57 45.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.577 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -135.13 169.75 20.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.9 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.2 t -149.09 147.86 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 75.5 m-70 -135.66 97.98 3.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.554 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.806 HG23 HD11 ' A' ' 124' ' ' ILE . 61.4 t -57.18 126.04 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.77 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.7 pt -101.74 166.95 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 23.8 p -83.76 -29.11 27.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.77 ' O ' HD12 ' A' ' 134' ' ' ILE . 5.5 m120 -149.75 170.61 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 56' ' ' LEU . 41.2 t -73.05 130.9 35.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.576 HD22 HD22 ' A' ' 115' ' ' ASN . 23.2 mt -74.41 172.16 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -144.84 147.81 36.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 126.74 10.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.78 105.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -136.49 -164.87 10.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 161.75 38.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.75 150.72 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 27.6 t -68.23 -58.61 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.953 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -157.09 141.44 16.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.772 . . . . 0.0 110.035 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 p -134.48 152.98 52.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.04 178.79 5.68 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m 57.44 105.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.783 . . . . 0.0 109.999 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -82.43 -60.0 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.35 -173.5 13.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.513 ' CG ' ' N ' ' A' ' 9' ' ' GLY . 1.6 ptt? -152.93 -156.56 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 0.774 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.513 ' N ' ' CG ' ' A' ' 8' ' ' MET . . . 165.64 93.78 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.765 HG22 HG22 ' A' ' 127' ' ' THR . 5.8 p -65.59 159.06 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 110.418 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.786 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.8 -56.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.483 ' HA ' HD12 ' A' ' 15' ' ' LEU . 19.2 mmm -52.89 -47.07 68.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.92 -45.66 89.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 t -50.96 -27.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 12' ' ' MET . 13.0 mt -84.11 -43.47 15.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.719 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.0 mttt -61.33 -42.21 98.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.62 -47.96 88.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -75.03 128.33 35.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -76.32 -36.29 58.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.8 -33.31 7.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -115.24 56.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.4 p -88.76 -66.39 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.91 -33.67 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 11.4 tp -60.54 -60.42 3.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.248 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.719 HG11 ' HG2' ' A' ' 16' ' ' LYS . 83.9 t -41.0 -53.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.74 -51.74 5.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.981 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -52.58 -44.8 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.72 HG12 HD13 ' A' ' 75' ' ' LEU . 26.0 mt -68.38 -50.91 52.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -40.66 59.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -43.08 27.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -61.44 -32.86 72.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.69 44.37 7.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mt -108.45 -19.83 13.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 38' ' ' ASN . 18.4 m -47.75 -54.72 11.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -57.71 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -49.41 -53.8 20.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 13.2 mt -68.51 -12.24 60.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -93.91 24.83 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -124.41 140.75 52.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -55.67 114.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 176.93 -138.68 4.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.7 m -148.76 131.8 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -155.97 117.53 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 80' ' ' GLY . 7.5 m -89.61 110.83 21.67 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.616 HG13 HG13 ' A' ' 79' ' ' ILE . 5.2 t -113.39 157.83 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 132' ' ' HIS . 87.9 m-85 -127.35 115.28 18.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.469 ' CB ' ' CD2' ' A' ' 24' ' ' LEU . . . -107.36 116.75 57.5 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.522 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.03 -174.9 2.11 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.0 p -95.08 -176.48 3.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -71.95 -42.17 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.63 -13.88 55.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -74.44 -62.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.522 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 57.7 m-85 -57.93 -39.78 78.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -25.8 64.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 52' ' ' ALA . . . -70.21 -42.19 72.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD11 HG11 ' A' ' 137' ' ' VAL . 17.0 mt -48.0 140.23 9.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.03 173.92 13.68 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -6.54 18.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.7 -49.63 5.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.103 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -18.41 62.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.452 ' HG2' ' CD1' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -67.25 -73.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' GLY . 23.3 t -55.34 -27.52 47.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -50.75 66.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.7 mt -90.2 -47.34 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 34.0 mt -60.18 -15.48 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -91.65 -93.32 1.35 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.19 132.14 52.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.92 -39.6 55.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -45.25 -56.91 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -40.39 95.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.981 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -52.96 -69.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.401 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -48.1 -41.82 27.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -48.57 -50.41 32.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.443 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 22.7 mm -63.43 -49.25 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.72 HD13 HG12 ' A' ' 28' ' ' ILE . 12.3 mt -53.77 -45.63 70.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -51.57 -54.35 28.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.471 ' O ' HD11 ' A' ' 103' ' ' LEU . 71.8 t80 -64.57 -13.08 51.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -92.84 -21.4 19.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.687 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.7 mt -101.92 145.9 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 44' ' ' THR . . . -112.82 178.64 18.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.533 1.146 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -118.79 43.6 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 0.728 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 174.22 159.41 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.707 HG23 ' HB ' ' A' ' 130' ' ' VAL . 5.5 mm -93.03 114.46 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 tt -119.66 120.18 35.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.762 ' O ' HD11 ' A' ' 89' ' ' ILE . 28.4 m -128.54 154.8 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.638 ' HB2' HD22 ' A' ' 107' ' ' LEU . 22.5 p -75.22 65.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -118.38 -46.83 0.44 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.98 67.22 0.56 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.762 HD11 ' O ' ' A' ' 85' ' ' VAL . 0.5 OUTLIER -108.56 105.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.39 -30.32 76.41 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -177.45 -71.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.433 HD21 ' OE2' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -137.16 145.63 43.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 20.3 t -135.67 153.63 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -109.21 105.78 15.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.565 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.6 OUTLIER -89.2 115.33 26.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.565 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -69.94 124.13 23.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.6 t -97.56 178.65 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.975 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.05 -48.52 9.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -44.75 -32.22 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.92 -46.67 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.91 137.22 57.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.37 134.35 36.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.471 HD11 ' O ' ' A' ' 77' ' ' TYR . 61.9 mt -88.45 139.52 30.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.433 ' OE2' HD21 ' A' ' 92' ' ' LEU . 1.4 mt-10 -99.36 130.73 45.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 t -141.12 125.56 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 p -133.12 177.58 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.955 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 86' ' ' SER . 29.3 tp -145.19 107.96 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -134.44 144.97 48.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.423 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 92.4 m-20 56.64 19.32 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.423 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 0.7 OUTLIER 77.16 13.26 2.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 t -107.53 138.15 35.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.9 t -100.82 143.29 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.85 151.51 50.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.438 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 7.0 p -138.45 105.61 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 4.0 m-20 74.61 28.29 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 74.8 27.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.68 144.15 38.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.33 17.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 133' ' ' VAL . 68.4 t -90.88 149.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.727 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.33 -66.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.494 ' O ' HD11 ' A' ' 124' ' ' ILE . 5.3 mm-40 -146.66 88.09 6.17 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.511 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.3 Cg_endo -74.99 179.79 5.74 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.4 t0 71.69 48.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.813 ' CD1' HG23 ' A' ' 133' ' ' VAL . 20.7 mt -101.25 93.07 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.32 127.12 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -107.08 -170.33 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.765 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -93.72 3.82 54.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.376 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 128' ' ' ASN . 9.8 p-10 -173.57 51.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 143.96 -161.29 27.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.707 ' HB ' HG23 ' A' ' 83' ' ' ILE . 6.4 p -137.8 169.84 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.786 ' CG2' HG23 ' A' ' 11' ' ' VAL . 40.6 t -146.82 157.78 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.58 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 70.5 m-70 -145.05 99.85 3.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.591 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.813 HG23 ' CD1' ' A' ' 124' ' ' ILE . 94.3 t -58.31 131.78 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -109.58 170.99 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 45.0 p -118.66 30.38 7.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.429 ' O ' HD12 ' A' ' 134' ' ' ILE . 3.1 m-80 179.73 153.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.641 HG11 HD11 ' A' ' 56' ' ' LEU . 90.7 t -79.44 110.41 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 12.3 mt -62.87 163.85 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -142.46 154.38 63.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.443 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 140.09 25.07 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.52 157.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.029 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -45.54 161.52 0.13 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.23 105.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.949 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.32 131.44 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -117.65 114.34 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.9 168.68 20.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.89 81.24 0.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.73 169.46 18.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 p -42.46 129.48 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . 73.26 -86.6 0.59 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.539 ' O ' ' CG2' ' A' ' 127' ' ' THR . 3.3 ttp 165.22 115.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 38.07 91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.848 HG22 ' OG1' ' A' ' 127' ' ' THR . 18.9 p -66.85 166.9 12.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 0.744 . . . . 0.0 110.429 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.793 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.4 OUTLIER -41.88 -52.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 28' ' ' ILE . 7.7 mmm -63.86 -57.35 10.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' LYS . 45.6 m-20 -47.6 -47.17 28.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -43.54 -36.67 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -74.41 -41.75 60.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HG2' HG11 ' A' ' 25' ' ' VAL . 15.6 mttt -61.45 -44.15 97.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.22 -60.43 7.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -69.32 128.32 36.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.243 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' ARG . 5.5 m120 -72.82 -38.69 67.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' ASN . 5.8 mtp180 -38.09 -41.62 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.7 m-85 -111.42 48.5 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 p -85.12 -31.13 23.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -36.89 63.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.1 tp -59.45 -51.87 68.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.559 HG11 ' HG2' ' A' ' 16' ' ' LYS . 79.5 t -45.35 -52.5 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.67 -44.42 6.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.053 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -62.69 -44.68 95.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.501 HG21 ' SD ' ' A' ' 12' ' ' MET . 48.4 mt -65.1 -47.8 86.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.18 -47.33 81.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -43.93 86.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.81 -29.57 70.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.03 37.82 17.51 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mt -100.9 -25.86 13.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.805 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.424 ' OG1' HG22 ' A' ' 28' ' ' ILE . 2.5 m -46.92 -41.13 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.12 -53.93 52.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -53.28 -44.68 68.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.443 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 8.6 mt -77.73 -6.04 52.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -81.6 -33.78 31.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -80.85 138.8 36.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -47.13 162.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.521 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 139.54 -134.97 6.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 41' ' ' GLY . 2.8 m -155.01 130.67 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 0.725 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -156.7 116.14 3.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.3 m -87.44 113.72 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.453 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG22 HG12 ' A' ' 79' ' ' ILE . 3.5 t -116.9 156.52 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 97.6 m-85 -129.29 115.11 17.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -106.48 116.92 58.3 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.519 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.2 Cg_endo -74.95 176.59 9.7 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.465 1.771 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.497 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.0 p -81.29 176.7 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.77 -41.8 74.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.56 -13.35 60.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -70.31 -57.18 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 63.8 m-85 -63.1 -32.63 74.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -64.45 -27.87 69.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.09 -39.66 75.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD11 HG11 ' A' ' 137' ' ' VAL . 12.3 mt -48.49 139.72 10.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.1 Cg_endo -74.97 167.53 26.85 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -1.84 11.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -93.31 -39.51 10.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 6.4 tt0 -93.1 -12.01 31.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.45 -75.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 2.0 t -54.34 -20.01 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.061 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -55.35 35.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.2 mt -84.01 -45.63 12.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.47 -17.28 53.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -99.32 -81.14 1.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.73 136.79 58.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.3 -48.34 11.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -69.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -50.28 -33.37 19.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.352 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.053 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -58.45 -70.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.2 -37.46 54.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' OD1' ' NE2' ' A' ' 99' ' ' GLN . 4.8 t-20 -50.56 -46.76 57.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.93 -53.82 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 28' ' ' ILE . 6.6 mt -49.05 -48.72 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -51.35 -45.45 62.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.645 ' O ' HD11 ' A' ' 103' ' ' LEU . 74.7 t80 -69.81 -18.91 63.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 14.1 m80 -89.18 -20.13 24.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.452 HG12 HG22 ' A' ' 45' ' ' VAL . 7.5 mt -101.77 144.57 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.93 174.53 15.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.567 1.167 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -110.41 39.1 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 172.42 164.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 83' ' ' ILE . 3.7 mm -89.69 138.49 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.407 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 4.0 tt -145.19 119.87 9.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.792 ' O ' HD11 ' A' ' 89' ' ' ILE . 22.0 m -137.88 -179.14 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.62 ' HB2' HD22 ' A' ' 107' ' ' LEU . 78.5 p -82.7 65.75 7.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.01 -79.54 0.22 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.24 51.07 0.96 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.792 HD11 ' O ' ' A' ' 85' ' ' VAL . 31.9 mm -67.28 -111.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.609 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 124.73 65.26 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 73.23 -71.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 93' ' ' VAL . 0.7 OUTLIER -148.25 150.56 33.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.422 ' N ' ' HG ' ' A' ' 92' ' ' LEU . 21.0 t -139.2 155.84 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -114.53 111.27 21.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -97.3 123.0 40.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.673 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -72.8 132.86 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' ASP . 3.8 t -103.69 149.46 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.02 -31.31 69.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.448 ' NE2' ' OD1' ' A' ' 73' ' ' ASN . 1.5 tt0 -65.1 -28.25 69.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 124.82 -45.86 1.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 97' ' ' SER . 2.4 m-20 -66.65 136.89 56.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.49 132.84 34.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.645 HD11 ' O ' ' A' ' 77' ' ' TYR . 22.0 mt -89.04 142.77 27.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -97.18 130.18 44.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.44 124.81 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 p -136.01 170.84 15.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.62 HD22 ' HB2' ' A' ' 86' ' ' SER . 46.0 tp -129.31 110.59 12.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -137.3 139.42 40.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 57.2 19.13 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 74.91 20.44 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.0 t -112.09 141.5 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.25 136.93 35.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.61 148.08 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.575 HG13 HD21 ' A' ' 138' ' ' LEU . 7.1 p -132.14 106.31 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.699 HD22 HD22 ' A' ' 138' ' ' LEU . 13.3 m-20 73.71 31.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.77 28.91 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -121.61 143.4 37.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.66 18.13 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.76 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 133' ' ' VAL . 71.5 t -90.09 153.26 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.612 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -80.41 -71.63 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -142.95 86.58 9.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 132' ' ' HIS . 18.2 Cg_endo -74.99 177.82 8.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.464 1.771 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.457 ' H ' ' CE1' ' A' ' 132' ' ' HIS . 4.8 t70 77.02 57.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.778 HD11 HG23 ' A' ' 133' ' ' VAL . 12.8 mt -112.68 92.14 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -68.09 133.52 49.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.454 ' HB1' ' N ' ' A' ' 11' ' ' VAL . . . -115.94 -170.35 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.848 ' OG1' HG22 ' A' ' 10' ' ' THR . 71.4 p -79.88 -28.03 39.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.435 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.07 54.08 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 156.35 -163.97 32.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 131' ' ' VAL . 2.0 p -142.87 169.86 11.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.793 ' CG2' HG23 ' A' ' 11' ' ' VAL . 26.2 t -144.83 152.58 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.711 ' CE1' HG12 ' A' ' 85' ' ' VAL . 90.8 m-70 -139.44 98.26 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.584 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.778 HG23 HD11 ' A' ' 124' ' ' ILE . 58.4 t -57.32 129.52 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.0 OUTLIER -106.1 171.32 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 120' ' ' ALA . 2.0 p -113.25 5.0 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.386 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.529 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.0 OUTLIER -151.71 164.45 36.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.42 HG11 HD11 ' A' ' 56' ' ' LEU . 77.4 t -92.21 100.53 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.699 HD22 HD22 ' A' ' 115' ' ' ASN . 31.6 mt -48.66 160.49 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -141.07 152.82 66.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 166.13 29.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.12 -70.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -175.33 -175.86 43.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 68.84 5.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.8 t -119.49 84.59 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.2 145.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.98 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 p -75.28 151.23 38.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.39 -59.28 3.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.03 64.72 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.27 161.62 34.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.014 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.51 -57.01 2.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.65 16.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.64 131.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -136.98 112.86 0.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.909 HG22 ' OG1' ' A' ' 127' ' ' THR . 4.9 p -59.48 157.78 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.781 . . . . 0.0 110.397 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.669 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.1 -56.15 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.711 ' SD ' HD13 ' A' ' 28' ' ' ILE . 19.5 mmm -61.79 -53.55 54.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.414 ' HB2' ' N ' ' A' ' 10' ' ' THR . 17.1 m-20 -49.31 -44.43 44.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.405 1.066 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 9' ' ' GLY . 3.0 t -51.22 -36.98 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 47' ' ' ALA . 12.0 mt -74.23 -38.63 63.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.86 ' HG2' HG11 ' A' ' 25' ' ' VAL . 16.3 mttt -63.68 -40.72 97.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.56 -52.69 51.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.23 132.15 45.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -79.81 -34.23 39.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.96 -38.52 51.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.541 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.6 m-85 -107.5 43.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.4 p -77.79 -60.29 2.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -39.08 11.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.699 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 8.8 tp -57.69 -54.76 43.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.86 HG11 ' HG2' ' A' ' 16' ' ' LYS . 71.3 t -44.81 -58.83 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.17 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.762 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -64.44 -51.01 65.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 25' ' ' VAL . 4.0 mt -58.63 -49.97 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -47.85 72.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -47.59 79.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.43 -33.14 73.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.34 35.62 8.63 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.3 -19.77 14.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.55 ' N ' HG22 ' A' ' 28' ' ' ILE . 1.1 m -51.94 -26.25 10.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.86 -53.99 7.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -55.09 -31.56 61.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.4 mt -88.48 -0.3 57.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -91.04 -26.0 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -86.48 142.76 28.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -56.22 159.81 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.74 -131.58 4.53 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 HG12 ' A' ' 83' ' ' ILE . 2.9 m -150.76 130.1 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.513 ' H ' HD11 ' A' ' 83' ' ' ILE . 61.8 m-85 -156.86 116.39 3.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -93.54 102.26 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.4 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.466 HG13 HG13 ' A' ' 79' ' ' ILE . 3.0 t -104.55 156.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 84.8 m-85 -130.32 113.45 14.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.489 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -105.0 116.8 60.1 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.562 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -75.01 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.544 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 3.2 p -97.52 176.57 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -66.58 -44.1 83.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -17.98 63.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 49' ' ' THR . . . -67.24 -61.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.562 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 66.3 m-85 -59.33 -33.53 71.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -63.41 -26.72 68.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.38 -43.93 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.679 HD11 HG11 ' A' ' 137' ' ' VAL . 12.2 mt -43.84 143.5 1.69 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.3 Cg_endo -75.05 163.2 35.7 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 0.32 9.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.77 . . . . 0.0 110.96 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.02 -33.2 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' OE2' HD22 ' A' ' 56' ' ' LEU . 3.7 tt0 -95.83 -16.7 21.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -74.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 66' ' ' GLY . 5.2 t -52.03 -21.57 3.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -63.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.7 mt -71.19 -47.9 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.08 -16.54 45.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -98.62 -84.61 1.79 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.16 129.35 39.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.87 -47.25 26.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -55.48 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.01 -46.0 91.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.356 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.762 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -49.62 -65.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 73' ' ' ASN . . . -50.97 -49.42 60.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' ALA . 1.5 t-20 -40.09 -46.37 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.431 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 25.5 mm -69.76 -58.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.756 ' O ' HD12 ' A' ' 79' ' ' ILE . 9.6 mt -44.46 -48.05 10.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -52.17 -53.09 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.573 ' O ' HD11 ' A' ' 103' ' ' LEU . 74.5 t80 -64.38 -11.43 32.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 7.0 m80 -93.75 -23.01 18.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.597 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 75' ' ' LEU . 2.6 mt -101.6 144.81 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.39 165.98 12.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -100.24 36.6 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' HG2' HD21 ' A' ' 95' ' ' LEU . 1.4 pt-20 177.13 158.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.515 HG12 HG12 ' A' ' 42' ' ' VAL . 13.1 mm -90.34 132.42 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' O ' ' NE2' ' A' ' 132' ' ' HIS . 5.1 tt -132.9 119.37 20.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 m -127.87 145.18 35.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.766 ' HB2' HD22 ' A' ' 107' ' ' LEU . 89.6 p -73.7 66.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -135.52 48.57 0.92 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.714 ' O ' ' C ' ' A' ' 89' ' ' ILE . . . 158.47 -54.17 0.38 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.714 ' C ' ' O ' ' A' ' 88' ' ' GLY . 3.0 mm 1.46 101.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.36 -49.2 78.53 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -159.77 -56.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.967 HD13 ' N ' ' A' ' 93' ' ' VAL . 2.8 tm? -139.85 155.43 47.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.967 ' N ' HD13 ' A' ' 92' ' ' LEU . 18.1 t -150.5 153.57 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.3 mtm-85 -120.18 110.11 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.7 OUTLIER -92.94 117.53 30.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.594 ' N ' HD23 ' A' ' 95' ' ' LEU . 8.5 ttpt -73.05 123.1 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.9 t -94.05 177.65 5.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.47 -44.96 13.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -51.08 -29.89 14.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 127.43 -45.93 1.12 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.495 1.122 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.5 133.39 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 135.36 33.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.573 HD11 ' O ' ' A' ' 77' ' ' TYR . 17.0 mt -90.16 146.75 24.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -103.18 130.01 50.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.8 123.65 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.659 ' HA ' HG21 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -134.14 176.77 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.024 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.766 HD22 ' HB2' ' A' ' 86' ' ' SER . 15.5 tp -131.44 107.77 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -136.79 144.37 43.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 28.4 t30 55.71 19.22 3.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 73.2 16.28 4.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.473 ' O ' HD12 ' A' ' 107' ' ' LEU . 8.8 t -108.53 158.83 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.404 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 59.8 t -120.22 144.3 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.4 151.17 43.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.2 p -138.83 103.52 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 114' ' ' VAL . 2.8 m-20 76.37 33.26 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 115' ' ' ASN . 2.0 mtmt 69.06 29.88 4.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 118' ' ' PRO . 1.2 mt-10 -122.76 142.27 37.34 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 117' ' ' GLU . 18.3 Cg_endo -74.99 135.61 19.33 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.5 1.79 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 133' ' ' VAL . 73.0 t -90.53 146.83 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.808 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -76.27 -64.32 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.48 ' O ' HD11 ' A' ' 124' ' ' ILE . 0.8 OUTLIER -150.34 88.37 4.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.483 ' HD3' HG12 ' A' ' 119' ' ' VAL . 18.2 Cg_endo -75.02 174.37 12.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 122' ' ' PRO . 3.2 t0 76.64 60.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.676 HD12 HG12 ' A' ' 131' ' ' VAL . 10.8 mt -116.22 92.74 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.28 137.63 54.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.83 -166.77 1.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.909 ' OG1' HG22 ' A' ' 10' ' ' THR . 74.6 p -81.32 -23.39 37.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.61 43.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 170.17 -168.36 41.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.486 HG12 HD12 ' A' ' 83' ' ' ILE . 1.3 p -137.37 170.52 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 124' ' ' ILE . 23.7 t -147.22 150.17 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.591 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 83.9 m-70 -138.71 97.13 3.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.808 HG12 ' HB3' ' A' ' 120' ' ' ALA . 76.4 t -55.45 134.44 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 0.9 OUTLIER -111.3 171.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 73.3 p -120.11 32.54 5.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 176.36 144.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.679 HG11 HD11 ' A' ' 56' ' ' LEU . 82.4 t -71.47 116.82 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 26.7 mt -68.51 155.17 40.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -135.95 151.53 74.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.431 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.03 154.28 42.23 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.49 93.1 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.98 -177.03 14.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -48.08 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.21 160.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.04 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.66 147.69 26.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 t -70.06 -60.21 2.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 0.763 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.19 123.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.68 -167.15 30.86 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -138.92 102.37 4.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -176.89 115.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.88 -118.83 0.83 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ptp -179.91 134.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.504 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -139.81 108.27 0.58 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.963 HG22 ' OG1' ' A' ' 127' ' ' THR . 5.2 p -58.56 156.3 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 110.373 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.712 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.37 -60.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.649 ' SD ' HG21 ' A' ' 28' ' ' ILE . 11.9 mmm -53.39 -43.53 67.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -62.27 -48.43 79.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 9' ' ' GLY . 12.8 t -45.94 -27.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 47' ' ' ALA . 7.1 mt -86.17 -41.94 14.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.764 ' HG2' HG11 ' A' ' 25' ' ' VAL . 13.3 mttt -63.56 -49.43 73.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.0 -56.24 12.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -71.79 131.75 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -75.06 -37.38 61.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -42.02 -40.42 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.0 m-85 -109.71 50.61 0.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.4 p -80.94 -56.13 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -50.68 -47.47 58.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.576 ' CD2' ' CB ' ' A' ' 47' ' ' ALA . 9.4 tp -47.98 -53.38 16.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.764 HG11 ' HG2' ' A' ' 16' ' ' LYS . 76.1 t -46.59 -55.78 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.19 -41.29 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.86 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -61.94 -49.41 76.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.649 HG21 ' SD ' ' A' ' 12' ' ' MET . 7.1 mt -64.86 -42.72 95.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -43.56 94.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -45.08 64.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -59.97 -33.0 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.12 39.45 9.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mt -101.47 -21.31 14.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' ASN . 8.6 m -44.44 -57.54 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -41.84 -61.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -46.69 -58.46 3.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.414 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 12' ' ' MET . 21.3 mt -63.97 -12.52 38.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' THR . 1.4 m-20 -91.36 17.78 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -127.64 141.69 51.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.65 152.87 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.701 ' O ' HG13 ' A' ' 42' ' ' VAL . . . 143.78 -127.58 3.07 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.701 HG13 ' O ' ' A' ' 41' ' ' GLY . 1.3 m -160.71 130.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -156.49 116.92 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 m -91.02 106.13 18.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 79' ' ' ILE . 3.2 t -109.14 157.7 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 96.6 m-85 -130.16 113.04 13.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.643 ' HB2' HD22 ' A' ' 15' ' ' LEU . . . -104.98 117.2 59.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.54 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 18.4 Cg_endo -75.0 -171.33 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.4 p -91.83 -173.14 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.398 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -76.71 -44.34 33.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -20.26 65.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.247 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -60.79 -52.8 63.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.54 ' CE1' ' HG2' ' A' ' 48' ' ' PRO . 55.9 m-85 -67.28 -29.19 68.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -65.48 -27.7 68.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.98 75.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 HG11 ' A' ' 137' ' ' VAL . 10.7 mt -47.72 140.1 8.41 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.5 Cg_endo -74.96 166.76 28.54 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.07 9.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.77 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -93.93 -42.63 8.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.66 -15.91 33.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 57' ' ' PRO . 0.2 OUTLIER -64.19 -76.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 66' ' ' GLY . 8.5 t -49.28 -23.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.51 -65.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 71' ' ' LEU . 63.5 mt -71.09 -46.99 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.35 -15.21 33.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -100.48 -91.15 2.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -61.3 133.61 56.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.238 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.48 -44.86 27.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -41.44 -68.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.95 -29.44 42.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.86 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -63.83 -70.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.422 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -48.55 -39.11 22.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -47.46 -54.86 10.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 74' ' ' ILE . 33.4 mm -61.01 -53.69 45.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.723 ' O ' HD12 ' A' ' 79' ' ' ILE . 7.8 mt -48.7 -45.44 39.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -52.56 -54.53 31.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.671 ' O ' HD11 ' A' ' 103' ' ' LEU . 49.4 t80 -64.86 -11.97 43.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 5.5 m80 -92.35 -22.02 19.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.635 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.5 mt -101.37 149.96 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -113.43 -175.19 19.15 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -117.41 9.64 13.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 0.727 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' HG2' HD21 ' A' ' 95' ' ' LEU . 3.5 pt-20 -158.46 161.09 37.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.532 HG23 ' HB ' ' A' ' 130' ' ' VAL . 15.3 mm -91.9 119.62 39.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.743 ' C ' HD23 ' A' ' 84' ' ' LEU . 2.7 tt -122.18 120.14 33.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' N ' HD23 ' A' ' 84' ' ' LEU . 33.0 m -134.37 152.78 34.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.589 ' OG ' HD22 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -72.74 69.43 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -131.33 46.24 1.08 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.81 53.86 0.26 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.581 HG23 ' CG2' ' A' ' 93' ' ' VAL . 22.9 mm -76.69 -117.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.553 ' N ' HG22 ' A' ' 89' ' ' ILE . . . 165.86 -43.65 0.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -175.0 -80.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.492 0.76 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.491 HD11 ' HG2' ' A' ' 104' ' ' GLU . 3.8 tp -125.15 132.52 53.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.581 ' CG2' HG23 ' A' ' 89' ' ' ILE . 96.7 t -122.29 131.55 72.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -97.73 111.27 23.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -97.39 116.71 30.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.529 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.12 115.51 9.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 98' ' ' LEU . 4.8 t -90.38 176.77 6.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.438 ' N ' ' OG ' ' A' ' 97' ' ' SER . 5.2 mt -86.53 -47.7 9.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' LEU . 0.8 OUTLIER -38.8 -32.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 126.1 -43.87 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.62 130.68 41.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.41 128.08 35.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.671 HD11 ' O ' ' A' ' 77' ' ' TYR . 14.2 mt -77.25 160.73 28.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.491 ' HG2' HD11 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -121.83 130.31 53.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 t -144.82 125.05 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.87 165.45 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 111' ' ' VAL . 35.1 tp -123.48 114.07 19.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -136.32 148.39 47.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 110' ' ' ASN . 3.6 m-20 56.59 18.84 3.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.358 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 109' ' ' ASN . 45.2 t30 76.19 7.61 3.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.883 ' O ' HD12 ' A' ' 107' ' ' LEU . 6.6 t -106.26 150.78 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.434 HG22 HD13 ' A' ' 107' ' ' LEU . 90.0 t -95.04 135.07 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.37 149.99 51.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' A' ' 117' ' ' GLU . 6.6 p -135.1 128.05 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.474 HD22 HD22 ' A' ' 138' ' ' LEU . 6.3 m-20 49.25 22.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 115' ' ' ASN . 1.6 mtmt 81.94 46.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.507 ' HB3' ' O ' ' A' ' 114' ' ' VAL . 1.5 tt0 -137.81 137.98 22.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.447 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 18.1 Cg_endo -75.08 131.21 13.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 133' ' ' VAL . 99.3 t -87.23 149.12 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.788 ' HB3' HG12 ' A' ' 133' ' ' VAL . . . -81.13 -61.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.551 ' O ' HD11 ' A' ' 124' ' ' ILE . 27.5 mt-10 -147.61 88.33 5.7 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.0 3.85 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 62.11 64.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.727 HD12 HG12 ' A' ' 131' ' ' VAL . 18.1 mt -112.48 92.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.47 132.44 53.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 129' ' ' GLY . . . -116.98 -166.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.963 ' OG1' HG22 ' A' ' 10' ' ' THR . 60.2 p -83.44 -32.17 26.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.387 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.48 45.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.58 ' O ' ' HB3' ' A' ' 126' ' ' ALA . . . 170.08 -168.76 41.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.42 1.075 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.532 ' HB ' HG23 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -134.79 170.12 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.727 HG12 HD12 ' A' ' 124' ' ' ILE . 24.4 t -147.62 147.28 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 75.8 m-70 -136.93 96.7 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.575 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.788 HG12 ' HB3' ' A' ' 120' ' ' ALA . 95.9 t -56.88 127.81 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 1.1 pt -105.07 170.91 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 120' ' ' ALA . 76.1 p -119.76 32.35 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.423 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.421 ' N ' ' OE2' ' A' ' 117' ' ' GLU . 0.7 OUTLIER 175.9 148.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.586 HG11 HD11 ' A' ' 56' ' ' LEU . 79.3 t -73.13 118.61 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 12.0 mt -70.71 158.15 36.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -139.43 152.1 68.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.4 14.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.21 160.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.957 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -69.48 152.35 51.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -62.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.53 84.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.987 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 3.9 t -161.02 85.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -137.29 83.84 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -142.95 151.41 40.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.98 -172.61 48.88 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -81.18 94.14 6.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.95 144.56 11.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.958 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.36 -99.07 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -175.04 -163.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.08 94.91 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.673 HG22 HG22 ' A' ' 127' ' ' THR . 10.6 p -66.45 152.46 45.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.762 HG23 ' CG2' ' A' ' 131' ' ' VAL . 0.2 OUTLIER -38.92 -55.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.84 ' SD ' HD13 ' A' ' 28' ' ' ILE . 20.8 mmm -61.96 -44.8 95.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 10' ' ' THR . 4.5 m-20 -58.48 -39.44 79.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 t -56.13 -28.85 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.672 HD22 ' CB ' ' A' ' 47' ' ' ALA . 7.4 mt -85.35 -40.23 16.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.771 ' HG2' HG11 ' A' ' 25' ' ' VAL . 14.8 mttt -61.15 -44.92 96.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.04 -52.62 52.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.33 123.53 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -68.63 -44.34 74.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -38.74 -42.27 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.1 m-85 -105.37 51.93 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.6 p -87.54 -66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.966 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -27.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD22 ' HD2' ' A' ' 48' ' ' PRO . 9.0 tp -68.35 -57.09 6.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.771 HG11 ' HG2' ' A' ' 16' ' ' LYS . 98.2 t -40.09 -55.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.34 -56.1 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.962 ' HB1' HD21 ' A' ' 71' ' ' LEU . . . -47.0 -47.17 22.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.84 HD13 ' SD ' ' A' ' 12' ' ' MET . 45.0 mt -66.06 -59.27 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -45.02 -39.0 5.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -44.72 21.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 72' ' ' ALA . . . -59.8 -29.9 68.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.0 43.37 9.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mt -107.06 -21.61 12.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 0.746 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' ASN . 6.3 m -45.77 -55.98 5.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -43.29 -60.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -47.64 -55.86 8.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.67 -12.82 56.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -93.2 21.03 6.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -119.44 142.59 48.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -60.88 116.74 4.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 110.351 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.79 -135.24 3.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.15 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG1' HG12 ' A' ' 83' ' ' ILE . 2.8 m -147.63 131.71 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.242 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -156.01 116.98 3.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.9 m -91.42 105.7 17.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.665 HG13 HG13 ' A' ' 79' ' ' ILE . 4.0 t -108.69 157.52 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' CE1' ' HB2' ' A' ' 132' ' ' HIS . 87.0 m-85 -127.04 114.04 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.672 ' CB ' HD22 ' A' ' 15' ' ' LEU . . . -107.58 116.92 56.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 134' ' ' ILE . 18.4 Cg_endo -74.99 -178.58 4.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.42 ' OG1' ' HB2' ' A' ' 52' ' ' ALA . 2.8 p -78.03 -171.82 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -77.43 -56.21 4.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -59.95 -20.85 59.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 48' ' ' PRO . . . -52.51 -38.94 60.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -78.81 -47.26 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -49.14 -26.79 3.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.16 -46.01 65.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD11 HG21 ' A' ' 137' ' ' VAL . 86.8 mt -45.71 141.3 4.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 56' ' ' LEU . 18.2 Cg_endo -75.02 165.2 31.78 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.56 8.77 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -94.76 -40.09 9.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.481 ' CA ' ' OE1' ' A' ' 60' ' ' GLU . 1.5 tp10 -95.51 -46.01 6.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -59.41 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' GLY . 0.6 OUTLIER -53.16 -53.93 43.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -43.38 -52.78 5.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.355 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mt -51.0 -60.68 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.71 -17.23 54.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 62' ' ' SER . . . -82.22 -94.48 0.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -60.73 130.1 44.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.91 -42.88 23.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -52.7 41.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.01 -37.75 88.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.962 HD21 ' HB1' ' A' ' 27' ' ' ALA . 0.6 OUTLIER -56.11 -68.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.557 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . . . -47.28 -37.24 10.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.69 -50.2 60.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.434 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 21.9 mm -64.67 -50.92 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.802 ' O ' HD12 ' A' ' 79' ' ' ILE . 20.3 mt -52.46 -42.91 64.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -52.26 -54.63 28.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.412 ' N ' ' HB2' ' A' ' 99' ' ' GLN . 63.5 t80 -64.9 -9.42 20.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 138' ' ' LEU . 7.0 m80 -96.24 -18.58 19.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 75' ' ' LEU . 3.4 mt -101.82 145.72 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' C ' ' CD1' ' A' ' 98' ' ' LEU . . . -113.02 166.81 12.18 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.483 ' CG ' ' CD1' ' A' ' 98' ' ' LEU . 7.3 m-20 -108.13 37.31 2.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.451 ' HG2' HD21 ' A' ' 95' ' ' LEU . 3.3 pt-20 177.64 161.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.528 HG23 ' HB ' ' A' ' 130' ' ' VAL . 4.0 mm -90.53 130.15 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.502 HD11 ' CG1' ' A' ' 93' ' ' VAL . 6.6 tt -134.13 119.82 19.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.457 HG12 HG21 ' A' ' 130' ' ' VAL . 29.0 m -128.43 156.7 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.8 p -58.65 -23.32 58.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.7 81.34 1.34 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.35 42.61 0.25 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 90' ' ' GLY . 6.8 mm -85.25 -102.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 0.785 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' A' ' 91' ' ' ALA . . . 124.43 54.96 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 90' ' ' GLY . . . 76.72 -62.1 0.42 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.957 HD13 ' N ' ' A' ' 93' ' ' VAL . 2.8 tm? -144.15 155.28 43.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.957 ' N ' HD13 ' A' ' 92' ' ' LEU . 50.8 t -156.3 116.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -90.42 112.08 23.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -95.1 117.46 30.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.559 ' N ' HD23 ' A' ' 95' ' ' LEU . 0.9 OUTLIER -71.76 126.24 29.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 p -93.78 139.85 30.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.007 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.483 ' CD1' ' CG ' ' A' ' 81' ' ' ASP . 7.1 mp -52.39 -25.2 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HB2' ' N ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -67.84 -18.82 64.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.81 -44.3 1.46 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -69.08 149.24 48.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.13 115.61 30.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 95' ' ' LEU . 3.5 mt -75.83 143.16 42.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.94 130.73 42.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.0 t -141.71 129.03 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.38 178.55 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 25.6 tp -129.21 110.25 11.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -137.39 140.28 41.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.9 m120 56.05 19.34 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 72.19 20.95 4.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.0 t -117.36 139.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 44.5 t -99.5 148.02 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.15 150.29 39.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -136.12 104.54 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.48 HD22 HD22 ' A' ' 138' ' ' LEU . 3.4 m-20 76.65 31.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.06 25.35 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.547 ' OE1' HD23 ' A' ' 138' ' ' LEU . 1.9 mt-10 -117.31 142.52 30.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.14 16.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 133' ' ' VAL . 66.9 t -91.04 158.95 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.512 ' HB2' ' CG2' ' A' ' 135' ' ' THR . . . -89.92 -77.56 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.547 ' O ' HD11 ' A' ' 124' ' ' ILE . 29.7 mt-10 -130.7 87.21 50.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.13 7.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 69.18 59.07 0.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.733 ' CD1' HG23 ' A' ' 133' ' ' VAL . 12.8 mt -110.93 92.95 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.91 120.76 15.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.29 -167.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.673 HG22 HG22 ' A' ' 10' ' ' THR . 0.4 OUTLIER -94.17 -0.76 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 128' ' ' ASN . 22.6 p30 -170.92 37.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 162.77 -158.5 30.74 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.528 ' HB ' HG23 ' A' ' 83' ' ' ILE . 2.2 p -136.64 170.46 18.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.762 ' CG2' HG23 ' A' ' 11' ' ' VAL . 20.3 t -147.13 151.92 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . 77.7 m-70 -138.81 98.28 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.733 HG23 ' CD1' ' A' ' 124' ' ' ILE . 97.2 t -60.73 120.68 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 136' ' ' ASN . 1.3 pt -99.0 170.55 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.512 ' CG2' ' HB2' ' A' ' 120' ' ' ALA . 38.0 p -117.12 28.18 8.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.576 ' O ' HD12 ' A' ' 134' ' ' ILE . 0.1 OUTLIER -179.78 144.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.564 HG21 HD11 ' A' ' 56' ' ' LEU . 75.8 t -72.44 115.74 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 78' ' ' HIS . 17.1 mt -65.66 164.59 14.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -138.39 153.54 72.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.434 ' HD3' ' CD1' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -74.99 167.31 27.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.9 p -84.21 -55.48 4.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 39.58 -160.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 177.35 8.68 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.547 1.814 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.21 105.17 11.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.1 p -101.62 141.14 34.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.978 . . . . . . . . 0 0 . 1 stop_ save_